4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C21H26N2O3 — CID 122024923

IUPAC4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CCc1cccc2ccccc12)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H26N2O3/c1-23(21(26)22-18-11-9-17(10-12-18)20(24)25)14-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,17-18H,9-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyYZKCCQOQZDOOQX-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds5

About 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024923) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024923
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CCc1cccc2ccccc12)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H26N2O3/c1-23(21(26)22-18-11-9-17(10-12-18)20(24)25)14-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,17-18H,9-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyYZKCCQOQZDOOQX-UHFFFAOYSA-N
XLogP3.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]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

3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 86880975
4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 122031153
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025091
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
4-[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023607
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
4-[[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024082
3-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 166234224
3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71934381
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122024923) is 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(CCc1cccc2ccccc12)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YZKCCQOQZDOOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-23(21(26)22-18-11-9-17(10-12-18)20(24)25)14-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,17-18H,9-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 354.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).