N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide

C18H28N2O — CID 62181510

IUPACN-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-3-12-19-17-10-8-15(9-11-17)18(21)20-13-16-7-5-4-6-14(16)2/h8-11,14,16,19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyJCMAKGOZFDMLBN-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds6

About N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide

N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide (PubChem CID 62181510) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
PubChem CID62181510
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-3-12-19-17-10-8-15(9-11-17)18(21)20-13-16-7-5-4-6-14(16)2/h8-11,14,16,19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyJCMAKGOZFDMLBN-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide
CID 107420570
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
N-(2-methylcyclopentyl)-4-(propylamino)benzamide
CID 63279400
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
CID 107419214
5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide (CID 62181510) is N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCC2CCCCC2C)cc1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide?
The InChIKey is JCMAKGOZFDMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-12-19-17-10-8-15(9-11-17)18(21)20-13-16-7-5-4-6-14(16)2/h8-11,14,16,19H,3-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide?
N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide is sourced from PubChem (CID 62181510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).