2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride

C13H20ClN3O2 — CID 119293831

IUPAC2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
SMILESCNC(=O)CCNC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-15-12(17)7-8-16-13(18)11(14)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyJDMSFRJOLVDGGT-UHFFFAOYSA-N
MW285.78 g/mol
LogP0.23
Rot. Bonds6

About 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride

2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119293831) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
PubChem CID119293831
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
SMILESCNC(=O)CCNC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-15-12(17)7-8-16-13(18)11(14)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyJDMSFRJOLVDGGT-UHFFFAOYSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119271418

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride (CID 119293831) is 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride is CNC(=O)CCNC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is JDMSFRJOLVDGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-15-12(17)7-8-16-13(18)11(14)9-10-5-3-2-4-6-10;/h2-6,11H,7-9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride?
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119293831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).