2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid

C21H23NO5 — CID 120530673

IUPAC2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1OC1CCCC1
InChIInChI=1S/C21H23NO5/c1-26-18-10-9-15(13-19(18)27-17-7-2-3-8-17)21(25)22-16-6-4-5-14(11-16)12-20(23)24/h4-6,9-11,13,17H,2-3,7-8,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyCXVODCIAPNBSGO-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.90
Rot. Bonds7

About 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid

2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid (PubChem CID 120530673) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
PubChem CID120530673
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
SMILESCOc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1OC1CCCC1
InChIInChI=1S/C21H23NO5/c1-26-18-10-9-15(13-19(18)27-17-7-2-3-8-17)21(25)22-16-6-4-5-14(11-16)12-20(23)24/h4-6,9-11,13,17H,2-3,7-8,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyCXVODCIAPNBSGO-UHFFFAOYSA-N
XLogP3.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)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

2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
2-[3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]phenyl]acetic acid
CID 119351564
N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide
CID 175240155
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
CID 31873206
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid (CID 120530673) is 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid is COc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is CXVODCIAPNBSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-18-10-9-15(13-19(18)27-17-7-2-3-8-17)21(25)22-16-6-4-5-14(11-16)12-20(23)24/h4-6,9-11,13,17H,2-3,7-8,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid?
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 120530673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).