3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide

C18H26N2O — CID 64596426

IUPAC3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC2CCCC(C3CC3)C2)c1C
InChIInChI=1S/C18H26N2O/c1-12-16(18(21)19-2)7-4-8-17(12)20-15-6-3-5-14(11-15)13-9-10-13/h4,7-8,13-15,20H,3,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyXKMUTNCXGWSZHJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.74
Rot. Bonds4

About 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide

3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide (PubChem CID 64596426) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
PubChem CID64596426
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC2CCCC(C3CC3)C2)c1C
InChIInChI=1S/C18H26N2O/c1-12-16(18(21)19-2)7-4-8-17(12)20-15-6-3-5-14(11-15)13-9-10-13/h4,7-8,13-15,20H,3,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyXKMUTNCXGWSZHJ-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide 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-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
CID 65083034
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
CID 102670996
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
2-[2-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596435
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline
CID 64595816
N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide (CID 64596426) is 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC2CCCC(C3CC3)C2)c1C.
What is the InChIKey of 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide?
The InChIKey is XKMUTNCXGWSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-16(18(21)19-2)7-4-8-17(12)20-15-6-3-5-14(11-15)13-9-10-13/h4,7-8,13-15,20H,3,5-6,9-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide?
3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 64596426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).