2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C21H23NO4 — CID 4621430

IUPAC2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,22,23)(H,24,25)
InChIKeySUHLNUCJAAQWEM-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.10
Rot. Bonds6

About 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 4621430) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID4621430
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,22,23)(H,24,25)
InChIKeySUHLNUCJAAQWEM-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

GW-9508
CID 11595431
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
CID 24768560
O-Tolu-P-phenetidide
CID 710558
4'-Methoxyphthalanilic acid
CID 792715
Fabp1-IN-1
CID 171391789
3-(3-{[(3-Phenoxyphenyl)methyl]amino}phenyl)propanoic acid
CID 24825480
(4S)-4-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoic acid
CID 24901600
(2S)-2-amino-4-{[4-(2-phenylethoxy)phenyl]carbamoyl}butanoic acid
CID 24901619
(2S)-2-amino-4-{[4-(3-phenylpropoxy)phenyl]carbamoyl}butanoic acid
CID 24901620
4-[4-(Benzyloxy)anilino]-4-oxobut-2-enoic acid
CID 711768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 4621430) is 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SUHLNUCJAAQWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,22,23)(H,24,25).
What are the key properties of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 4621430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).