3-[(4-methylphenyl)methylamino]-N-propylbenzamide

C18H22N2O — CID 43675970

IUPAC3-[(4-methylphenyl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O/c1-3-11-19-18(21)16-5-4-6-17(12-16)20-13-15-9-7-14(2)8-10-15/h4-10,12,20H,3,11,13H2,1-2H3,(H,19,21)
InChIKeyUDZXDCFRINYNIJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.75
Rot. Bonds6

About 3-[(4-methylphenyl)methylamino]-N-propylbenzamide

3-[(4-methylphenyl)methylamino]-N-propylbenzamide (PubChem CID 43675970) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylamino]-N-propylbenzamide
PubChem CID43675970
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(4-methylphenyl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O/c1-3-11-19-18(21)16-5-4-6-17(12-16)20-13-15-9-7-14(2)8-10-15/h4-10,12,20H,3,11,13H2,1-2H3,(H,19,21)
InChIKeyUDZXDCFRINYNIJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
3-(ethylamino)-N-propylbenzamide
CID 43676038
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 162638258
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylamino]-N-propylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)methylamino]-N-propylbenzamide (CID 43675970) is 3-[(4-methylphenyl)methylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylamino]-N-propylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)methylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCc2ccc(C)cc2)c1.
What is the InChIKey of 3-[(4-methylphenyl)methylamino]-N-propylbenzamide?
The InChIKey is UDZXDCFRINYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-11-19-18(21)16-5-4-6-17(12-16)20-13-15-9-7-14(2)8-10-15/h4-10,12,20H,3,11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-[(4-methylphenyl)methylamino]-N-propylbenzamide?
3-[(4-methylphenyl)methylamino]-N-propylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylamino]-N-propylbenzamide is sourced from PubChem (CID 43675970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).