2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride

C12H19ClN2O — CID 12546861

IUPAC2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)Nc1c(C)cccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-4-10(13)12(15)14-11-8(2)6-5-7-9(11)3;/h5-7,10H,4,13H2,1-3H3,(H,14,15);1H
InChIKeyOIBANKYFRGHUIE-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride

2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride (PubChem CID 12546861) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
PubChem CID12546861
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)Nc1c(C)cccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-4-10(13)12(15)14-11-8(2)6-5-7-9(11)3;/h5-7,10H,4,13H2,1-3H3,(H,14,15);1H
InChIKeyOIBANKYFRGHUIE-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
CID 67216874
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride (CID 12546861) is 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride is CCC(N)C(=O)Nc1c(C)cccc1C.Cl.
What is the InChIKey of 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride?
The InChIKey is OIBANKYFRGHUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-4-10(13)12(15)14-11-8(2)6-5-7-9(11)3;/h5-7,10H,4,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride?
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 12546861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).