5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid

C23H33NO4 — CID 72725193

IUPAC5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
SMILESCC1CCC(C(=O)N(c2ccc(OC3CCCC3)cc2C(=O)O)C(C)C)CC1
InChIInChI=1S/C23H33NO4/c1-15(2)24(22(25)17-10-8-16(3)9-11-17)21-13-12-19(14-20(21)23(26)27)28-18-6-4-5-7-18/h12-18H,4-11H2,1-3H3,(H,26,27)
InChIKeyUWEQDVJTANYERF-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.27
Rot. Bonds6

About 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid

5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid (PubChem CID 72725193) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid.

Molecular Properties

Compound Name5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
PubChem CID72725193
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
SMILESCC1CCC(C(=O)N(c2ccc(OC3CCCC3)cc2C(=O)O)C(C)C)CC1
InChIInChI=1S/C23H33NO4/c1-15(2)24(22(25)17-10-8-16(3)9-11-17)21-13-12-19(14-20(21)23(26)27)28-18-6-4-5-7-18/h12-18H,4-11H2,1-3H3,(H,26,27)
InChIKeyUWEQDVJTANYERF-UHFFFAOYSA-N
XLogP5.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(Trans-4-Methylcyclohexyl)carbonyl](Propan-2-Yl)amino}-5-[2-(Trifluoromethyl)phenoxy]benzoic Acid
CID 71563397
5-{4-[(4-Methoxybenzoyl)amino]phenoxy}-2-{[(Trans-4-Methylcyclohexyl)carbonyl](Propan-2-Yl)amino}benzoic Acid
CID 71748679
2-{[(Trans-4-Methylcyclohexyl)carbonyl](Propan-2-Yl)amino}-5-Phenoxybenzoic Acid
CID 71819718
2-[[(3E,5Z)-4-octoxyhepta-3,5-dienoyl]amino]-5-(trifluoromethoxy)benzoic acid
CID 91970407
4,5-Difluoro-2-[(3-octoxybenzoyl)amino]benzoic acid
CID 91970415
5-Fluoro-2-[(2-fluoro-5-octoxybenzoyl)amino]benzoic acid
CID 91970416
5-(Acetyloxy)-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 889613
4-(2,5-Dioxopyrrolidin-1-yl)-3-methylphenyl 3-methoxybenzoate
CID 972962
2-[3-(4-Methoxyphenyl)-N-methylprop-2-enamido]benzoic acid
CID 2348079
2-[Methyl-(4-methylcyclohexanecarbonyl)amino]-5-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 58969961
3-{3-[(2-Carboxyphenyl)carbamoyl]phenoxy}benzoic acid
CID 11291848
2-[(3-Heptoxybenzoyl)amino]benzoic acid
CID 91970409

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid?
The IUPAC name of 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid (CID 72725193) is 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid.
What is the SMILES notation for 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid?
The canonical SMILES for 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid is CC1CCC(C(=O)N(c2ccc(OC3CCCC3)cc2C(=O)O)C(C)C)CC1.
What is the InChIKey of 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid?
The InChIKey is UWEQDVJTANYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-15(2)24(22(25)17-10-8-16(3)9-11-17)21-13-12-19(14-20(21)23(26)27)28-18-6-4-5-7-18/h12-18H,4-11H2,1-3H3,(H,26,27).
What are the key properties of 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid?
5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid has a molecular weight of 387.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid is sourced from PubChem (CID 72725193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).