3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide

C17H20N2O — CID 115160850

IUPAC3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide
SMILESCNc1cccc(C(=O)Nc2ccc(C)c(C)c2C)c1
InChIInChI=1S/C17H20N2O/c1-11-8-9-16(13(3)12(11)2)19-17(20)14-6-5-7-15(10-14)18-4/h5-10,18H,1-4H3,(H,19,20)
InChIKeyJYOKTMQMIJOTKC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.91
Rot. Bonds3

About 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide

3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide (PubChem CID 115160850) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide
PubChem CID115160850
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide
SMILESCNc1cccc(C(=O)Nc2ccc(C)c(C)c2C)c1
InChIInChI=1S/C17H20N2O/c1-11-8-9-16(13(3)12(11)2)19-17(20)14-6-5-7-15(10-14)18-4/h5-10,18H,1-4H3,(H,19,20)
InChIKeyJYOKTMQMIJOTKC-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917283
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide
CID 115160837
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
3-(methylamino)benzamide
CID 18727714
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide?
The IUPAC name of 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide (CID 115160850) is 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide.
What is the SMILES notation for 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide?
The canonical SMILES for 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide is CNc1cccc(C(=O)Nc2ccc(C)c(C)c2C)c1.
What is the InChIKey of 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide?
The InChIKey is JYOKTMQMIJOTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-8-9-16(13(3)12(11)2)19-17(20)14-6-5-7-15(10-14)18-4/h5-10,18H,1-4H3,(H,19,20).
What are the key properties of 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide?
3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide is sourced from PubChem (CID 115160850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).