3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride

C15H24ClN3O2 — CID 119683128

IUPAC3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CC(C)N.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10-6-5-7-11(2)15(10)17-13(19)9-18(4)14(20)8-12(3)16;/h5-7,12H,8-9,16H2,1-4H3,(H,17,19);1H
InChIKeyKSDXYVVVGFVDKG-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.86
Rot. Bonds5

About 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride (PubChem CID 119683128) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
PubChem CID119683128
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CC(C)N.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10-6-5-7-11(2)15(10)17-13(19)9-18(4)14(20)8-12(3)16;/h5-7,12H,8-9,16H2,1-4H3,(H,17,19);1H
InChIKeyKSDXYVVVGFVDKG-UHFFFAOYSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119683142
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119684604
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 119683115
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772528
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290835
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 8921277

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride (CID 119683128) is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
The InChIKey is KSDXYVVVGFVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-10-6-5-7-11(2)15(10)17-13(19)9-18(4)14(20)8-12(3)16;/h5-7,12H,8-9,16H2,1-4H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119683128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).