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

C13H21ClN2O — CID 119669709

IUPAC2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10(9-14-3)13(16)15-11(2)12-7-5-4-6-8-12;/h4-8,10-11,14H,9H2,1-3H3,(H,15,16);1H
InChIKeySELHTQZNUYWNKS-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.14
Rot. Bonds5

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

2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride (PubChem CID 119669709) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
PubChem CID119669709
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10(9-14-3)13(16)15-11(2)12-7-5-4-6-8-12;/h4-8,10-11,14H,9H2,1-3H3,(H,15,16);1H
InChIKeySELHTQZNUYWNKS-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride
CID 119818557
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 10967206
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride (CID 119669709) is 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)c1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride?
The InChIKey is SELHTQZNUYWNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-10(9-14-3)13(16)15-11(2)12-7-5-4-6-8-12;/h4-8,10-11,14H,9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119669709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).