3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide

C20H30N2O2 — CID 134020403

IUPAC3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H30N2O2/c1-14-9-6-7-12-17(14)22(5)18(23)15-10-8-11-16(13-15)21-19(24)20(2,3)4/h8,10-11,13-14,17H,6-7,9,12H2,1-5H3,(H,21,24)
InChIKeyKHZRJWDWFYASOV-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.32
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide (PubChem CID 134020403) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide
PubChem CID134020403
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H30N2O2/c1-14-9-6-7-12-17(14)22(5)18(23)15-10-8-11-16(13-15)21-19(24)20(2,3)4/h8,10-11,13-14,17H,6-7,9,12H2,1-5H3,(H,21,24)
InChIKeyKHZRJWDWFYASOV-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide (CID 134020403) is 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide?
The InChIKey is KHZRJWDWFYASOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-9-6-7-12-17(14)22(5)18(23)15-10-8-11-16(13-15)21-19(24)20(2,3)4/h8,10-11,13-14,17H,6-7,9,12H2,1-5H3,(H,21,24).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide has a molecular weight of 330.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 134020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).