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

C21H23NO5 — CID 119218458

IUPAC2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
SMILESCOc1cc(C(=O)Nc2ccccc2CC(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C21H23NO5/c1-26-19-12-15(10-11-18(19)27-16-7-3-4-8-16)21(25)22-17-9-5-2-6-14(17)13-20(23)24/h2,5-6,9-12,16H,3-4,7-8,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyUIQCANDDYVHGMG-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.90
Rot. Bonds7

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

2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid (PubChem CID 119218458) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
PubChem CID119218458
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
SMILESCOc1cc(C(=O)Nc2ccccc2CC(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C21H23NO5/c1-26-19-12-15(10-11-18(19)27-16-7-3-4-8-16)21(25)22-17-9-5-2-6-14(17)13-20(23)24/h2,5-6,9-12,16H,3-4,7-8,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyUIQCANDDYVHGMG-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

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Related Compounds

4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
CID 120603998
N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55831849
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 55820947

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid (CID 119218458) is 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid is COc1cc(C(=O)Nc2ccccc2CC(=O)O)ccc1OC1CCCC1.
What is the InChIKey of 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is UIQCANDDYVHGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-19-12-15(10-11-18(19)27-16-7-3-4-8-16)21(25)22-17-9-5-2-6-14(17)13-20(23)24/h2,5-6,9-12,16H,3-4,7-8,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid?
2-[2-[(4-cyclopentyloxy-3-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-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119218458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).