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

C16H18N2O — CID 4080899

IUPAC2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCNc1ccccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H18N2O/c1-12-7-9-13(10-8-12)11-18-16(19)14-5-3-4-6-15(14)17-2/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyUTBBGMKEJUBQEX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.97
Rot. Bonds4

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

2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 4080899) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID4080899
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCNc1ccccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H18N2O/c1-12-7-9-13(10-8-12)11-18-16(19)14-5-3-4-6-15(14)17-2/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyUTBBGMKEJUBQEX-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide
CID 169339724
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide (CID 4080899) is 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide is CNc1ccccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is UTBBGMKEJUBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-7-9-13(10-8-12)11-18-16(19)14-5-3-4-6-15(14)17-2/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 4080899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).