CC(C)C(=O)CC(=O)NC1=CC=CC=C1
CAS: 124401-38-3
Nom: 4-methyl-3-oxo-N-phenylpentanamide
SMILES: CC(C)C(=O)CC(=O)NC1=CC=CC=C1

Molecular Processing

Molecular formula
C12H15NO2
Molecular weight
205.26
Exact mass
205.1103
XLogP
2.24
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.53

Supplementary Information

InChIKey: ADHRFDCBLJVNFO-UHFFFAOYSA-N
Synonymes
124401-38-34-methyl-3-oxo-N-phenylpentanamideDTXSID70436892RefChem:294310DTXCID90387716N-Phenyl-isobutyloylacetamideN-Phenyl IsobutyrylacetamidePentanamide, 4-methyl-3-oxo-N-phenyl-4-methyl-3-oxo-N-phenyl-pentanamide4-Methyl-3-oxopentanoic acid anilideMFCD00137795N-Phenyl-4-methyl-3-oxopentanamideAtorvastatin Impurity 604-Methyl-3-oxo-N-phenylpentanamide; 4-Methyl-3-oxopentanoic acid anilide; 4-Methyl-3-oxopentanoic acid phenylamide; N-Phenyl-4-methyl-3-oxopentanamide; N-Phenyl Isobutyrylacetamideisobutyrylacetanilide4-Methyl-3-oxopentanoic acid phenylamideAtorvastatin Impurity 1TBE22EDS49SCHEMBL925581ADHRFDCBLJVNFO-UHFFFAOYSA-N4-methyl-3-oxo-N-phenyl- Pentana4-methyl-N-phenyl-3-oxopentanamide4-methyl-3-oxo-N-phenyl pentanamideAKOS015890660AC-5343CS-W002417FP26900SB77896AS-15668SY004942
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→