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

C16H27ClN2O3 — CID 119682743

IUPAC2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(OC)cc1OC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-6-9-16(2,17)15(19)18(3)11-12-7-8-13(20-4)10-14(12)21-5;/h7-8,10H,6,9,11,17H2,1-5H3;1H
InChIKeyXJGGZQXITVNIIW-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.60
Rot. Bonds7

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

2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride (PubChem CID 119682743) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
PubChem CID119682743
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)Cc1ccc(OC)cc1OC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-6-9-16(2,17)15(19)18(3)11-12-7-8-13(20-4)10-14(12)21-5;/h7-8,10H,6,9,11,17H2,1-5H3;1H
InChIKeyXJGGZQXITVNIIW-UHFFFAOYSA-N
XLogP2.60
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 60936876
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride (CID 119682743) is 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)Cc1ccc(OC)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
The InChIKey is XJGGZQXITVNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-6-9-16(2,17)15(19)18(3)11-12-7-8-13(20-4)10-14(12)21-5;/h7-8,10H,6,9,11,17H2,1-5H3;1H.
What are the key properties of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride?
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119682743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).