N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide

C15H22N2O2 — CID 27807926

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H22N2O2/c1-5-7-15(19)17(4)10-14(18)16-13-9-6-8-11(2)12(13)3/h6,8-9H,5,7,10H2,1-4H3,(H,16,18)
InChIKeyIKEQVMOMZUVBAS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 27807926) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
PubChem CID27807926
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H22N2O2/c1-5-7-15(19)17(4)10-14(18)16-13-9-6-8-11(2)12(13)3/h6,8-9H,5,7,10H2,1-4H3,(H,16,18)
InChIKeyIKEQVMOMZUVBAS-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 51276851
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
4-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]benzoic acid
CID 119181081
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
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
3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55996807
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide (CID 27807926) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide is CCCC(=O)N(C)CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is IKEQVMOMZUVBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-7-15(19)17(4)10-14(18)16-13-9-6-8-11(2)12(13)3/h6,8-9H,5,7,10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 2.50, 5 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-methylbutanamide is sourced from PubChem (CID 27807926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).