3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride

C15H25ClN2O2 — CID 119765561

IUPAC3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCC(C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(9-10-19-3)17-15(18)12(2)14(16)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,16H2,1-3H3,(H,17,18);1H
InChIKeyAQEKQJJKRKGLMI-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.29
Rot. Bonds7

About 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119765561) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119765561
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCC(C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(9-10-19-3)17-15(18)12(2)14(16)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,16H2,1-3H3,(H,17,18);1H
InChIKeyAQEKQJJKRKGLMI-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119795706
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119820368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119765561) is 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride is COCCC(C)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is AQEKQJJKRKGLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(9-10-19-3)17-15(18)12(2)14(16)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119765561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).