2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid

C22H24N2O4 — CID 119218278

IUPAC2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C22H24N2O4/c25-20(26)13-18-7-3-4-8-19(18)24-22(28)17-11-9-15(10-12-17)14-23-21(27)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyBASQEGRXBNIPOW-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.37
Rot. Bonds7

About 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid

2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid (PubChem CID 119218278) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid
PubChem CID119218278
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C22H24N2O4/c25-20(26)13-18-7-3-4-8-19(18)24-22(28)17-11-9-15(10-12-17)14-23-21(27)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyBASQEGRXBNIPOW-UHFFFAOYSA-N
XLogP3.37
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzylcyclopentanecarboxamide
CID 835634
N-benzylcyclobutanecarboxamide
CID 730128
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide
CID 75468061
N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119497751
2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
CID 119205884
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid (CID 119218278) is 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid?
The InChIKey is BASQEGRXBNIPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(26)13-18-7-3-4-8-19(18)24-22(28)17-11-9-15(10-12-17)14-23-21(27)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid?
2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid has a molecular weight of 380.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).