3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 63043737

IUPAC3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C16H28N2O3/c1-11-5-3-8-14(9-11)18(2)16(21)17-13-7-4-6-12(10-13)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyLAWNIEVGBFDBNU-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds3

About 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043737) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043737
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C16H28N2O3/c1-11-5-3-8-14(9-11)18(2)16(21)17-13-7-4-6-12(10-13)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyLAWNIEVGBFDBNU-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[methyl-(3-methylcyclohexyl)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-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042287
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
3-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044100
1-cyclopropyl-1-methyl-3-(3-methylcyclobutyl)urea
CID 130718605
3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030447
2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 79800820
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
(3-methylcyclohexyl)carbamic acid
CID 67410451

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 63043737) is 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CC1CCCC(N(C)C(=O)NC2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LAWNIEVGBFDBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-5-3-8-14(9-11)18(2)16(21)17-13-7-4-6-12(10-13)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).