N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

C17H18N2O2 — CID 35553197

IUPACN-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-13-7-6-10-15(11-13)18-16(20)12-19(2)17(21)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,18,20)
InChIKeyGZTNUHYOLSGDBU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (PubChem CID 35553197) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
PubChem CID35553197
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-13-7-6-10-15(11-13)18-16(20)12-19(2)17(21)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,18,20)
InChIKeyGZTNUHYOLSGDBU-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (CID 35553197) is N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is GZTNUHYOLSGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-7-6-10-15(11-13)18-16(20)12-19(2)17(21)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35553197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).