2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride

C14H22ClN3O2 — CID 119268362

IUPAC2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
SMILESCc1cccc(NC(=O)CN(C)C(=O)C(C)N)c1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-6-5-7-12(10(9)2)16-13(18)8-17(4)14(19)11(3)15;/h5-7,11H,8,15H2,1-4H3,(H,16,18);1H
InChIKeyQGLOXOLUEDHILU-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride

2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride (PubChem CID 119268362) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
PubChem CID119268362
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
SMILESCc1cccc(NC(=O)CN(C)C(=O)C(C)N)c1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-6-5-7-12(10(9)2)16-13(18)8-17(4)14(19)11(3)15;/h5-7,11H,8,15H2,1-4H3,(H,16,18);1H
InChIKeyQGLOXOLUEDHILU-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 119268365
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912
N-(2,3-dimethylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
CID 115637950
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride (CID 119268362) is 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride is Cc1cccc(NC(=O)CN(C)C(=O)C(C)N)c1C.Cl.
What is the InChIKey of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
The InChIKey is QGLOXOLUEDHILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9-6-5-7-12(10(9)2)16-13(18)8-17(4)14(19)11(3)15;/h5-7,11H,8,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.47, 4 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-methylpropanamide;hydrochloride is sourced from PubChem (CID 119268362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).