2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride

C18H29ClN2O3 — CID 119597445

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-12(2)10-18(4,11-19)20-17(22)9-15-8-14(13(3)21)6-7-16(15)23-5;/h6-8,12H,9-11,19H2,1-5H3,(H,20,22);1H
InChIKeyVJXCZQFVYMIJLR-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.74
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride

2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride (PubChem CID 119597445) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride
PubChem CID119597445
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-12(2)10-18(4,11-19)20-17(22)9-15-8-14(13(3)21)6-7-16(15)23-5;/h6-8,12H,9-11,19H2,1-5H3,(H,20,22);1H
InChIKeyVJXCZQFVYMIJLR-UHFFFAOYSA-N
XLogP2.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-4-methylpentan-2-yl)acetamide
CID 119585445
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119598009
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
(2S,3S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119194209

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride (CID 119597445) is 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride is COc1ccc(C(C)=O)cc1CC(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride?
The InChIKey is VJXCZQFVYMIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-12(2)10-18(4,11-19)20-17(22)9-15-8-14(13(3)21)6-7-16(15)23-5;/h6-8,12H,9-11,19H2,1-5H3,(H,20,22);1H.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride?
2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119597445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).