4-[(4-propylcyclohexyl)carbamoyl]benzoic acid

C17H23NO3 — CID 61409748

IUPAC4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
SMILESCCCC1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO3/c1-2-3-12-4-10-15(11-5-12)18-16(19)13-6-8-14(9-7-13)17(20)21/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyDCUBWALYZGPDMS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.47
Rot. Bonds5

About 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid

4-[(4-propylcyclohexyl)carbamoyl]benzoic acid (PubChem CID 61409748) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
PubChem CID61409748
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
SMILESCCCC1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO3/c1-2-3-12-4-10-15(11-5-12)18-16(19)13-6-8-14(9-7-13)17(20)21/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyDCUBWALYZGPDMS-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
CID 143724454
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
CID 63524780

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid (CID 61409748) is 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid is CCCC1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid?
The InChIKey is DCUBWALYZGPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-12-4-10-15(11-5-12)18-16(19)13-6-8-14(9-7-13)17(20)21/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid?
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylcyclohexyl)carbamoyl]benzoic acid is sourced from PubChem (CID 61409748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).