4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide

C18H22N2O — CID 60964888

IUPAC4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCc2ccccc2C)cc1
InChIInChI=1S/C18H22N2O/c1-14-7-9-16(10-8-14)18(21)20-12-11-19-13-17-6-4-3-5-15(17)2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyPLWSEGGMCXCEDO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.82
Rot. Bonds6

About 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide

4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide (PubChem CID 60964888) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide
PubChem CID60964888
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCc2ccccc2C)cc1
InChIInChI=1S/C18H22N2O/c1-14-7-9-16(10-8-14)18(21)20-12-11-19-13-17-6-4-3-5-15(17)2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyPLWSEGGMCXCEDO-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
N-[2-[(4-iodophenyl)methylamino]ethyl]-4-methylbenzamide
CID 65476353
4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide
CID 62131692
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-chloro-N-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111360315
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide (CID 60964888) is 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCc2ccccc2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide?
The InChIKey is PLWSEGGMCXCEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-9-16(10-8-14)18(21)20-12-11-19-13-17-6-4-3-5-15(17)2/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide?
4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 60964888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).