2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride

C16H27ClN2O — CID 119778527

IUPAC2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-6-7-16(5,17)15(19)18-13(4)14-9-11(2)8-12(3)10-14;/h8-10,13H,6-7,17H2,1-5H3,(H,18,19);1H
InChIKeyCRBOURGRSVQUNP-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.42
Rot. Bonds5

About 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride (PubChem CID 119778527) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
PubChem CID119778527
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-6-7-16(5,17)15(19)18-13(4)14-9-11(2)8-12(3)10-14;/h8-10,13H,6-7,17H2,1-5H3,(H,18,19);1H
InChIKeyCRBOURGRSVQUNP-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 60847702
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119716790
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride (CID 119778527) is 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)c1cc(C)cc(C)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The InChIKey is CRBOURGRSVQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-6-7-16(5,17)15(19)18-13(4)14-9-11(2)8-12(3)10-14;/h8-10,13H,6-7,17H2,1-5H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119778527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).