N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride

C16H27ClN2O2 — CID 119606160

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cccc(C(C)C(=O)NC(C)(CN)C(C)C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)16(4,10-17)18-15(19)12(3)13-7-6-8-14(9-13)20-5;/h6-9,11-12H,10,17H2,1-5H3,(H,18,19);1H
InChIKeyWZHKGBFCWHXVSV-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.71
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119606160) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
PubChem CID119606160
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cccc(C(C)C(=O)NC(C)(CN)C(C)C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)16(4,10-17)18-15(19)12(3)13-7-6-8-14(9-13)20-5;/h6-9,11-12H,10,17H2,1-5H3,(H,18,19);1H
InChIKeyWZHKGBFCWHXVSV-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
CID 119606161
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
2,3,3-trimethylbutan-2-yl (2S)-2-(3-methoxyphenyl)propanoate
CID 134966872
N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
CID 138015024
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxypropanamide
CID 119608690
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119665599
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 138015020

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride (CID 119606160) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride is COc1cccc(C(C)C(=O)NC(C)(CN)C(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is WZHKGBFCWHXVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-11(2)16(4,10-17)18-15(19)12(3)13-7-6-8-14(9-13)20-5;/h6-9,11-12H,10,17H2,1-5H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119606160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).