N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide

C21H26N2O2 — CID 51276851

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-5-9-18(13-15)11-12-21(25)23(4)14-20(24)22-19-10-6-8-16(2)17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyPOIFYBWFPOCWIK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide (PubChem CID 51276851) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
PubChem CID51276851
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-5-9-18(13-15)11-12-21(25)23(4)14-20(24)22-19-10-6-8-16(2)17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyPOIFYBWFPOCWIK-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]benzoic acid
CID 119181081
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55996807
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503646
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
4-(5-chlorothiophen-2-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 27808264
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide (CID 51276851) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide?
The InChIKey is POIFYBWFPOCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-5-9-18(13-15)11-12-21(25)23(4)14-20(24)22-19-10-6-8-16(2)17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 51276851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).