3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid

C20H29NO5 — CID 120532543

IUPAC3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C20H29NO5/c1-4-20(5-2,13-18(22)23)21-19(24)14-10-11-16(25-3)17(12-14)26-15-8-6-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNUSHQNUBTZQPRK-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.78
Rot. Bonds9

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

3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid (PubChem CID 120532543) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
PubChem CID120532543
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C20H29NO5/c1-4-20(5-2,13-18(22)23)21-19(24)14-10-11-16(25-3)17(12-14)26-15-8-6-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNUSHQNUBTZQPRK-UHFFFAOYSA-N
XLogP3.78
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-3,4-dimethoxybenzamide
CID 114304525
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
CID 120529887
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid?
The IUPAC name of 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid (CID 120532543) is 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid.
What is the SMILES notation for 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid?
The canonical SMILES for 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid is CCC(CC)(CC(=O)O)NC(=O)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid?
The InChIKey is NUSHQNUBTZQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-20(5-2,13-18(22)23)21-19(24)14-10-11-16(25-3)17(12-14)26-15-8-6-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid?
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid has a molecular weight of 363.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid is sourced from PubChem (CID 120532543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).