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

C22H25NO5 — CID 120512153

IUPAC2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C22H25NO5/c1-27-19-12-11-16(14-20(19)28-17-9-5-6-10-17)21(24)23-18(22(25)26)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,17-18H,5-6,9-10,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyFMDBGKZIEGNLJF-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.44
Rot. Bonds8

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

2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 120512153) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
PubChem CID120512153
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C22H25NO5/c1-27-19-12-11-16(14-20(19)28-17-9-5-6-10-17)21(24)23-18(22(25)26)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,17-18H,5-6,9-10,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyFMDBGKZIEGNLJF-UHFFFAOYSA-N
XLogP3.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide
CID 175240155
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid (CID 120512153) is 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid is COc1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1OC1CCCC1.
What is the InChIKey of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is FMDBGKZIEGNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-27-19-12-11-16(14-20(19)28-17-9-5-6-10-17)21(24)23-18(22(25)26)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,17-18H,5-6,9-10,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid?
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 383.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 120512153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).