CCCN(CCC)C(=O)C1=CC(=CC(=C1)C)C(=O)O
CAS: 388072-25-1
Название: 3-(dipropylcarbamoyl)-5-methylbenzoic acid
SMILES: CCCN(CCC)C(=O)C1=CC(=CC(=C1)C)C(=O)O

Molecular Processing

Molecular formula
C15H21NO3
Molecular weight
263.34
Exact mass
263.1521
XLogP
2.96
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
74.62

Supplementary Information

InChIKey: UCCVUNQWERTTPW-UHFFFAOYSA-N
Синонимы
5-methyl-N,N-dipropylisophthalamic acid388072-25-13-(DIPROPYLCARBAMOYL)-5-METHYLBENZOIC ACIDSCHEMBL2953707DTXSID30464474UCCVUNQWERTTPW-UHFFFAOYSA-NAKOS0270915875-methyl-N, N-dipropylisophthalamic acid5-methyl-N,N-dipropyl-isophthalamic acidDB-0869973-[(Dipropylamino)carbonyl]-5-methylbenzoic acid3-methyl-5-[(dipropylamino)carbonyl]benzoic acid
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