2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride

C13H21ClN2O — CID 119294102

IUPAC2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
SMILESCC(C)C(CNC(=O)CN)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10(2)12(9-15-13(16)8-14)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyQSQIZKLLHLCGPI-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride

2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride (PubChem CID 119294102) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
PubChem CID119294102
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
SMILESCC(C)C(CNC(=O)CN)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10(2)12(9-15-13(16)8-14)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyQSQIZKLLHLCGPI-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
CID 120589227
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
CID 35009959
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride (CID 119294102) is 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride is CC(C)C(CNC(=O)CN)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride?
The InChIKey is QSQIZKLLHLCGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-10(2)12(9-15-13(16)8-14)11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride?
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride is sourced from PubChem (CID 119294102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).