4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid

C20H27ClN2O4 — CID 119229311

IUPAC4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H27ClN2O4/c1-3-12(2)17(23-18(24)13-4-8-15(21)9-5-13)19(25)22-16-10-6-14(7-11-16)20(26)27/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyBEUMBJYTSWRHOS-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.24
Rot. Bonds7

About 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229311) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229311
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H27ClN2O4/c1-3-12(2)17(23-18(24)13-4-8-15(21)9-5-13)19(25)22-16-10-6-14(7-11-16)20(26)27/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyBEUMBJYTSWRHOS-UHFFFAOYSA-N
XLogP3.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]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

4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
CID 119449447
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768
4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
CID 120598886
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78809641
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid (CID 119229311) is 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BEUMBJYTSWRHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-3-12(2)17(23-18(24)13-4-8-15(21)9-5-13)19(25)22-16-10-6-14(7-11-16)20(26)27/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 394.90 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).