N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride

C15H25ClN2O3 — CID 119606880

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(C)(CN)C(C)C)c(OC)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-10(2)15(3,9-16)17-14(18)12-7-6-11(19-4)8-13(12)20-5;/h6-8,10H,9,16H2,1-5H3,(H,17,18);1H
InChIKeyYZIVJNFKJPGLBS-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.23
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride (PubChem CID 119606880) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
PubChem CID119606880
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(C)(CN)C(C)C)c(OC)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-10(2)15(3,9-16)17-14(18)12-7-6-11(19-4)8-13(12)20-5;/h6-8,10H,9,16H2,1-5H3,(H,17,18);1H
InChIKeyYZIVJNFKJPGLBS-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
CID 119605873
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119607344
N-(3-carbamothioylpentan-3-yl)-2,4-dimethoxybenzamide
CID 61120433
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79814147
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
CID 119606161

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride (CID 119606880) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride is COc1ccc(C(=O)NC(C)(CN)C(C)C)c(OC)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride?
The InChIKey is YZIVJNFKJPGLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-10(2)15(3,9-16)17-14(18)12-7-6-11(19-4)8-13(12)20-5;/h6-8,10H,9,16H2,1-5H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119606880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).