(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride

C15H24ClN3O2 — CID 119272094

IUPAC(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)NC(=O)CN(C)C(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)17-14(19)10-18(3)15(20)13(16)9-12-7-5-4-6-8-12;/h4-8,11,13H,9-10,16H2,1-3H3,(H,17,19);1H/t13-;/m0./s1
InChIKeyKYROTXBOWMLRJZ-ZOWNYOTGSA-N
MW313.83 g/mol
LogP0.96
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119272094) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119272094
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)NC(=O)CN(C)C(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)17-14(19)10-18(3)15(20)13(16)9-12-7-5-4-6-8-12;/h4-8,11,13H,9-10,16H2,1-3H3,(H,17,19);1H/t13-;/m0./s1
InChIKeyKYROTXBOWMLRJZ-ZOWNYOTGSA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 119268365
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl 3-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-2-methylpropanoate
CID 61163621
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 81082656
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride (CID 119272094) is (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride is CC(C)NC(=O)CN(C)C(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is KYROTXBOWMLRJZ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11(2)17-14(19)10-18(3)15(20)13(16)9-12-7-5-4-6-8-12;/h4-8,11,13H,9-10,16H2,1-3H3,(H,17,19);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119272094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).