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

C14H22ClN3O2 — CID 119684604

IUPAC3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC(C)N.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-5-4-6-10(2)14(9)17-13(19)8-16-12(18)7-11(3)15;/h4-6,11H,7-8,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyVFHSPCFMXONGMK-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.52
Rot. Bonds5

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

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119684604) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
PubChem CID119684604
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CC(C)N.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-5-4-6-10(2)14(9)17-13(19)8-16-12(18)7-11(3)15;/h4-6,11H,7-8,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyVFHSPCFMXONGMK-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430473
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
N-(2,6-dimethylphenyl)-2-(methylcarbamothioylamino)acetamide
CID 8790815
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
2-[[N-[2-(2,6-dimethylanilino)-2-oxoethyl]-C-methylcarbonimidoyl]amino]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 13177105

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride (CID 119684604) is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride is Cc1cccc(C)c1NC(=O)CNC(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is VFHSPCFMXONGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9-5-4-6-10(2)14(9)17-13(19)8-16-12(18)7-11(3)15;/h4-6,11H,7-8,15H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride?
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 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]butanamide;hydrochloride is sourced from PubChem (CID 119684604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).