N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide

C21H26N2O3 — CID 3071718

IUPACN-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,22,25)(H,23,26)
InChIKeySDZYPJCYCAREFM-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.85
Rot. Bonds10

About N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide

N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide (PubChem CID 3071718) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide
PubChem CID3071718
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)CNC(=O)CCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,22,25)(H,23,26)
InChIKeySDZYPJCYCAREFM-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide?
The IUPAC name of N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide (CID 3071718) is N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(O)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide?
The InChIKey is SDZYPJCYCAREFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide?
N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-phenylpropanoylamino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 3071718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).