4-(4-cyclohexylbutanoylamino)benzoic acid

C17H23NO3 — CID 10803376

IUPAC4-(4-cyclohexylbutanoylamino)benzoic acid
SMILESO=C(CCCC1CCCCC1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c19-16(8-4-7-13-5-2-1-3-6-13)18-15-11-9-14(10-12-15)17(20)21/h9-13H,1-8H2,(H,18,19)(H,20,21)
InChIKeySOBLSYDTMFDNHF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.07
Rot. Bonds6

About 4-(4-cyclohexylbutanoylamino)benzoic acid

4-(4-cyclohexylbutanoylamino)benzoic acid (PubChem CID 10803376) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(4-cyclohexylbutanoylamino)benzoic acid.

Molecular Properties

Compound Name4-(4-cyclohexylbutanoylamino)benzoic acid
PubChem CID10803376
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-(4-cyclohexylbutanoylamino)benzoic acid
SMILESO=C(CCCC1CCCCC1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c19-16(8-4-7-13-5-2-1-3-6-13)18-15-11-9-14(10-12-15)17(20)21/h9-13H,1-8H2,(H,18,19)(H,20,21)
InChIKeySOBLSYDTMFDNHF-UHFFFAOYSA-N
XLogP4.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
CID 71994664
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-(4-cyclohexylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257879
2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
CID 43357298
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
CID 119516594

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylbutanoylamino)benzoic acid?
The IUPAC name of 4-(4-cyclohexylbutanoylamino)benzoic acid (CID 10803376) is 4-(4-cyclohexylbutanoylamino)benzoic acid.
What is the SMILES notation for 4-(4-cyclohexylbutanoylamino)benzoic acid?
The canonical SMILES for 4-(4-cyclohexylbutanoylamino)benzoic acid is O=C(CCCC1CCCCC1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(4-cyclohexylbutanoylamino)benzoic acid?
The InChIKey is SOBLSYDTMFDNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(8-4-7-13-5-2-1-3-6-13)18-15-11-9-14(10-12-15)17(20)21/h9-13H,1-8H2,(H,18,19)(H,20,21).
What are the key properties of 4-(4-cyclohexylbutanoylamino)benzoic acid?
4-(4-cyclohexylbutanoylamino)benzoic acid has a molecular weight of 289.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylbutanoylamino)benzoic acid is sourced from PubChem (CID 10803376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).