3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride

C14H22ClN3O2 — CID 119689808

IUPAC3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCCCNC(=O)CNC(=O)C(CN)c1ccccc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-8-16-13(18)10-17-14(19)12(9-15)11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyMZPHQSPHIACCKY-UHFFFAOYSA-N
MW299.80 g/mol
LogP0.79
Rot. Bonds7

About 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride

3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 119689808) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID119689808
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCCCNC(=O)CNC(=O)C(CN)c1ccccc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-8-16-13(18)10-17-14(19)12(9-15)11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyMZPHQSPHIACCKY-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
CID 103814209
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
3,3-diphenyl-N-propylpropanamide
CID 4638647
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride (CID 119689808) is 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride is CCCNC(=O)CNC(=O)C(CN)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is MZPHQSPHIACCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-2-8-16-13(18)10-17-14(19)12(9-15)11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride?
3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119689808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).