3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride

C18H23ClN2O — CID 119669700

IUPAC3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13(17(19)16-11-7-4-8-12-16)18(21)20-14(2)15-9-5-3-6-10-15;/h3-14,17H,19H2,1-2H3,(H,20,21);1H
InChIKeyPTNXPJXZCAGWDK-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.62
Rot. Bonds5

About 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride (PubChem CID 119669700) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
PubChem CID119669700
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13(17(19)16-11-7-4-8-12-16)18(21)20-14(2)15-9-5-3-6-10-15;/h3-14,17H,19H2,1-2H3,(H,20,21);1H
InChIKeyPTNXPJXZCAGWDK-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride (CID 119669700) is 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride is CC(NC(=O)C(C)C(N)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride?
The InChIKey is PTNXPJXZCAGWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-13(17(19)16-11-7-4-8-12-16)18(21)20-14(2)15-9-5-3-6-10-15;/h3-14,17H,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).