4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 119229266

IUPAC4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(CCC(=O)NC1CCC(C(=O)O)CC1)Cc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(22)21(13-15-5-3-2-4-6-15)12-11-18(23)20-17-9-7-16(8-10-17)19(24)25/h2-6,16-17H,7-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyDBSSOBVLLUXQMS-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.18
Rot. Bonds7

About 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid

4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119229266) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119229266
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(CCC(=O)NC1CCC(C(=O)O)CC1)Cc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-14(22)21(13-15-5-3-2-4-6-15)12-11-18(23)20-17-9-7-16(8-10-17)19(24)25/h2-6,16-17H,7-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyDBSSOBVLLUXQMS-UHFFFAOYSA-N
XLogP2.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[acetyl(benzyl)amino]propanoylamino]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-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 96523044
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[acetyl(benzyl)amino]propanamide
CID 96523023
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[acetyl(benzyl)amino]propanamide
CID 99845883
N-benzyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 815268
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024359
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388

Frequently Asked Questions

What is the IUPAC name of 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid (CID 119229266) is 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid is CC(=O)N(CCC(=O)NC1CCC(C(=O)O)CC1)Cc1ccccc1.
What is the InChIKey of 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DBSSOBVLLUXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(22)21(13-15-5-3-2-4-6-15)12-11-18(23)20-17-9-7-16(8-10-17)19(24)25/h2-6,16-17H,7-13H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).