N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide

C18H28N2O — CID 64732342

IUPACN-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-9-19-17-8-6-5-7-16(17)18(21)20-15-11-13(2)10-14(3)12-15/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyPZGONJNJKSHNRX-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds5

About N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide

N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide (PubChem CID 64732342) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide
PubChem CID64732342
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-9-19-17-8-6-5-7-16(17)18(21)20-15-11-13(2)10-14(3)12-15/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyPZGONJNJKSHNRX-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide 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

N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
2-(ethylamino)-N-(4-methylcyclohexyl)benzamide
CID 62171591
2-(ethylamino)-N-(3-methylcyclohexyl)benzamide
CID 62169337
N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62361158
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64724976
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(propylamino)benzamide
CID 106257709
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide (CID 64732342) is N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide?
The InChIKey is PZGONJNJKSHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-9-19-17-8-6-5-7-16(17)18(21)20-15-11-13(2)10-14(3)12-15/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide?
N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide is sourced from PubChem (CID 64732342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).