2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride

C13H20ClN3O2 — CID 119271418

IUPAC2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
SMILESCCNC(=O)CNC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-15-12(17)9-16-13(18)11(14)8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyLDNOTGUBZLFCCL-UHFFFAOYSA-N
MW285.78 g/mol
LogP0.23
Rot. Bonds6

About 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride

2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119271418) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119271418
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
SMILESCCNC(=O)CNC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-2-15-12(17)9-16-13(18)11(14)8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyLDNOTGUBZLFCCL-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

2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 18223206
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
(2S)-2-amino-N-phenacyl-3-phenylpropanamide
CID 54565286
(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 145458652
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119293831

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride (CID 119271418) is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride is CCNC(=O)CNC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is LDNOTGUBZLFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-2-15-12(17)9-16-13(18)11(14)8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
2-amino-N-[2-(ethylamino)-2-oxoethyl]-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-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119271418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).