4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid

C23H27NO3 — CID 120674093

IUPAC4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC(CCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c25-22(19-12-14-20(15-13-19)23(26)27)24-21(18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2,(H,24,25)(H,26,27)
InChIKeyPMFSATDVQHQJEW-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.37
Rot. Bonds7

About 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid

4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 120674093) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID120674093
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC(CCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c25-22(19-12-14-20(15-13-19)23(26)27)24-21(18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2,(H,24,25)(H,26,27)
InChIKeyPMFSATDVQHQJEW-UHFFFAOYSA-N
XLogP4.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
4-(1-phenylbut-3-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674180
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974597
(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 97347656
2-(cyclopropylmethoxy)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 95573632
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 120674093) is 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC(CCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is PMFSATDVQHQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-22(19-12-14-20(15-13-19)23(26)27)24-21(18-9-5-2-6-10-18)16-11-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2,(H,24,25)(H,26,27).
What are the key properties of 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 365.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).