3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride

C13H20ClN3O2 — CID 119309735

IUPAC3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O2.ClH/c14-8-6-12(17)16-10-13(18)15-9-7-11-4-2-1-3-5-11;/h1-5H,6-10,14H2,(H,15,18)(H,16,17);1H
InChIKeyHLSUDQRMEAMAOL-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.23
Rot. Bonds7

About 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride

3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119309735) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
PubChem CID119309735
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19N3O2.ClH/c14-8-6-12(17)16-10-13(18)15-9-7-11-4-2-1-3-5-11;/h1-5H,6-10,14H2,(H,15,18)(H,16,17);1H
InChIKeyHLSUDQRMEAMAOL-UHFFFAOYSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119549003
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride (CID 119309735) is 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is HLSUDQRMEAMAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c14-8-6-12(17)16-10-13(18)15-9-7-11-4-2-1-3-5-11;/h1-5H,6-10,14H2,(H,15,18)(H,16,17);1H.
What are the key properties of 3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 0.23, 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-(2-phenylethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119309735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).