5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid

C21H30N2O4 — CID 122056899

IUPAC5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCN(C)C(=O)c1cccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)c1
InChIInChI=1S/C21H30N2O4/c1-23(2)21(27)17-10-6-9-16(14-17)20(26)22-18(11-12-19(24)25)13-15-7-4-3-5-8-15/h6,9-10,14-15,18H,3-5,7-8,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyUFHHRKYDBVKVSH-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.32
Rot. Bonds8

About 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid

5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid (PubChem CID 122056899) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
PubChem CID122056899
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCN(C)C(=O)c1cccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)c1
InChIInChI=1S/C21H30N2O4/c1-23(2)21(27)17-10-6-9-16(14-17)20(26)22-18(11-12-19(24)25)13-15-7-4-3-5-8-15/h6,9-10,14-15,18H,3-5,7-8,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyUFHHRKYDBVKVSH-UHFFFAOYSA-N
XLogP3.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic 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

4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
CID 122056451
5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
CID 122056780
2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate
CID 86626202
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
4-[3-(cyclohexylmethylcarbamoyl)phenyl]-4-oxobutanoic acid
CID 23642199
5-cyclohexyl-4-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 122056814
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
CID 122056584

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid (CID 122056899) is 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid is CN(C)C(=O)c1cccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)c1.
What is the InChIKey of 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
The InChIKey is UFHHRKYDBVKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-23(2)21(27)17-10-6-9-16(14-17)20(26)22-18(11-12-19(24)25)13-15-7-4-3-5-8-15/h6,9-10,14-15,18H,3-5,7-8,11-13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 122056899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).