2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride

C16H27ClN2O — CID 119681313

IUPAC2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(CC)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-11-16(3,17)15(19)18(4)12-14-9-7-13(6-2)8-10-14;/h7-10H,5-6,11-12,17H2,1-4H3;1H
InChIKeyRUSDFEYCOMPAGL-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.15
Rot. Bonds6

About 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride

2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride (PubChem CID 119681313) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
PubChem CID119681313
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(CC)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-11-16(3,17)15(19)18(4)12-14-9-7-13(6-2)8-10-14;/h7-10H,5-6,11-12,17H2,1-4H3;1H
InChIKeyRUSDFEYCOMPAGL-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 54868960
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
CID 60938964
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
CID 119822111
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710
2-amino-N-benzyl-N-ethyl-2-methylpentanamide;hydrochloride
CID 119674328
2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119723180

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride (CID 119681313) is 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)Cc1ccc(CC)cc1.Cl.
What is the InChIKey of 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The InChIKey is RUSDFEYCOMPAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-11-16(3,17)15(19)18(4)12-14-9-7-13(6-2)8-10-14;/h7-10H,5-6,11-12,17H2,1-4H3;1H.
What are the key properties of 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119681313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).