N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide

C18H22N2O — CID 62175774

IUPACN-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-12-19-16-10-8-15(9-11-16)18(21)20(3)17-7-5-6-14(2)13-17/h5-11,13,19H,4,12H2,1-3H3
InChIKeyFSXMXLPBTZZZPM-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.09
Rot. Bonds5

About N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide

N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide (PubChem CID 62175774) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
PubChem CID62175774
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-12-19-16-10-8-15(9-11-16)18(21)20(3)17-7-5-6-14(2)13-17/h5-11,13,19H,4,12H2,1-3H3
InChIKeyFSXMXLPBTZZZPM-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104640621
N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
N-methyl-N-(3-methylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62174886
N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069128
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide (CID 62175774) is N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)N(C)c2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide?
The InChIKey is FSXMXLPBTZZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-12-19-16-10-8-15(9-11-16)18(21)20(3)17-7-5-6-14(2)13-17/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide?
N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide is sourced from PubChem (CID 62175774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).