N-(3-methylcyclohexyl)-4-(propylamino)benzamide

C17H26N2O — CID 62169172

IUPACN-(3-methylcyclohexyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-3-11-18-15-9-7-14(8-10-15)17(20)19-16-6-4-5-13(2)12-16/h7-10,13,16,18H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyUQUDUWCJMJNNMT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.82
Rot. Bonds5

About N-(3-methylcyclohexyl)-4-(propylamino)benzamide

N-(3-methylcyclohexyl)-4-(propylamino)benzamide (PubChem CID 62169172) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-4-(propylamino)benzamide
PubChem CID62169172
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-methylcyclohexyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-3-11-18-15-9-7-14(8-10-15)17(20)19-16-6-4-5-13(2)12-16/h7-10,13,16,18H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyUQUDUWCJMJNNMT-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-(2-methylcyclopentyl)-4-(propylamino)benzamide
CID 63279400
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
6-(methylamino)-N-(3-methylcyclohexyl)pyridine-3-carboxamide
CID 62168135

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-4-(propylamino)benzamide?
The IUPAC name of N-(3-methylcyclohexyl)-4-(propylamino)benzamide (CID 62169172) is N-(3-methylcyclohexyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(3-methylcyclohexyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NC2CCCC(C)C2)cc1.
What is the InChIKey of N-(3-methylcyclohexyl)-4-(propylamino)benzamide?
The InChIKey is UQUDUWCJMJNNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-11-18-15-9-7-14(8-10-15)17(20)19-16-6-4-5-13(2)12-16/h7-10,13,16,18H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methylcyclohexyl)-4-(propylamino)benzamide?
N-(3-methylcyclohexyl)-4-(propylamino)benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-4-(propylamino)benzamide is sourced from PubChem (CID 62169172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).