3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

C18H20N2O2 — CID 26537864

IUPAC3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-12-5-4-6-16(10-12)20-17(21)11-19-18(22)15-8-13(2)7-14(3)9-15/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyIMTBIYCSSYAYIF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.98
Rot. Bonds4

About 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (PubChem CID 26537864) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
PubChem CID26537864
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-12-5-4-6-16(10-12)20-17(21)11-19-18(22)15-8-13(2)7-14(3)9-15/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyIMTBIYCSSYAYIF-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
4-methyl-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 24574857
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (CID 26537864) is 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is Cc1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is IMTBIYCSSYAYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-5-4-6-16(10-12)20-17(21)11-19-18(22)15-8-13(2)7-14(3)9-15/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 26537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).