2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

C20H25N3O2 — CID 119268365

IUPAC2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)C(N)Cc2ccccc2)c1C
InChIInChI=1S/C20H25N3O2/c1-14-8-7-11-18(15(14)2)22-19(24)13-23(3)20(25)17(21)12-16-9-5-4-6-10-16/h4-11,17H,12-13,21H2,1-3H3,(H,22,24)
InChIKeyJSXUEVGXAGULLN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds6

About 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (PubChem CID 119268365) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
PubChem CID119268365
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)C(N)Cc2ccccc2)c1C
InChIInChI=1S/C20H25N3O2/c1-14-8-7-11-18(15(14)2)22-19(24)13-23(3)20(25)17(21)12-16-9-5-4-6-10-16/h4-11,17H,12-13,21H2,1-3H3,(H,22,24)
InChIKeyJSXUEVGXAGULLN-UHFFFAOYSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9287521
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
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
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (CID 119268365) is 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is Cc1cccc(NC(=O)CN(C)C(=O)C(N)Cc2ccccc2)c1C.
What is the InChIKey of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is JSXUEVGXAGULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-8-7-11-18(15(14)2)22-19(24)13-23(3)20(25)17(21)12-16-9-5-4-6-10-16/h4-11,17H,12-13,21H2,1-3H3,(H,22,24).
What are the key properties of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119268365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).