CCOC(=O)C(=O)C1=CC(=C(C=C1)C2CCCCC2)N
Name: ethyl 2-(3-amino-4-cyclohexylphenyl)-2-oxoacetate
SMILES: CCOC(=O)C(=O)C1=CC(=C(C=C1)C2CCCCC2)N

Molecular Processing

Molecular formula
C16H21NO3
Molecular weight
275.35
Exact mass
275.1521
XLogP
3.06
TPSA
69.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.64

Supplementary Information

InChIKey: IZLOHTSQZSTZDE-UHFFFAOYSA-N
Synonyms
SCHEMBL11224527IZLOHTSQZSTZDE-UHFFFAOYSA-Nethyl 3-amino-4-cyclohexylphenyglyoxylateethyl 3-amino-4-cyclohexylphenylglyoxylateethyl 3-amino-4 -cyclohexylphenylglyoxylate
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Involved in 129 reactions→

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