4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid

C25H29NO3 — CID 174448388

IUPAC4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C2CCCC2)c1
InChIInChI=1S/C25H29NO3/c27-24(20-12-10-18(11-13-20)17-6-2-1-3-7-17)26-23-15-14-21(25(28)29)16-22(23)19-8-4-5-9-19/h10-17,19H,1-9H2,(H,26,27)(H,28,29)
InChIKeyRABDEVZBHIIPRU-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.34
Rot. Bonds5

About 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid

4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid (PubChem CID 174448388) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid.

Molecular Properties

Compound Name4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
PubChem CID174448388
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C2CCCC2)c1
InChIInChI=1S/C25H29NO3/c27-24(20-12-10-18(11-13-20)17-6-2-1-3-7-17)26-23-15-14-21(25(28)29)16-22(23)19-8-4-5-9-19/h10-17,19H,1-9H2,(H,26,27)(H,28,29)
InChIKeyRABDEVZBHIIPRU-UHFFFAOYSA-N
XLogP6.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid?
The IUPAC name of 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid (CID 174448388) is 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid.
What is the SMILES notation for 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid?
The canonical SMILES for 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C2CCCC2)c1.
What is the InChIKey of 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid?
The InChIKey is RABDEVZBHIIPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c27-24(20-12-10-18(11-13-20)17-6-2-1-3-7-17)26-23-15-14-21(25(28)29)16-22(23)19-8-4-5-9-19/h10-17,19H,1-9H2,(H,26,27)(H,28,29).
What are the key properties of 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid?
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid has a molecular weight of 391.51 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid is sourced from PubChem (CID 174448388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).