3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride

C14H23ClN2O — CID 119669598

IUPAC3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-10(2)16-14(17)11(3)13(15)12-8-6-5-7-9-12;/h5-11,13H,4,15H2,1-3H3,(H,16,17);1H
InChIKeySEQNDVKYEIMNLT-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119669598) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119669598
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-10(2)16-14(17)11(3)13(15)12-8-6-5-7-9-12;/h5-11,13H,4,15H2,1-3H3,(H,16,17);1H
InChIKeySEQNDVKYEIMNLT-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride (CID 119669598) is 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride is CCC(C)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is SEQNDVKYEIMNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-10(2)16-14(17)11(3)13(15)12-8-6-5-7-9-12;/h5-11,13H,4,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119669598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).