N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

C18H17N3O3 — CID 56765305

IUPACN'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c19-11-14-8-4-5-9-16(14)21-18(24)17(23)20-12-15(22)10-13-6-2-1-3-7-13/h1-9,15,22H,10,12H2,(H,20,23)(H,21,24)
InChIKeyUXZPXFMRKCQOON-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.22
Rot. Bonds5

About N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (PubChem CID 56765305) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
PubChem CID56765305
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c19-11-14-8-4-5-9-16(14)21-18(24)17(23)20-12-15(22)10-13-6-2-1-3-7-13/h1-9,15,22H,10,12H2,(H,20,23)(H,21,24)
InChIKeyUXZPXFMRKCQOON-UHFFFAOYSA-N
XLogP1.22
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (CID 56765305) is N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is UXZPXFMRKCQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-11-14-8-4-5-9-16(14)21-18(24)17(23)20-12-15(22)10-13-6-2-1-3-7-13/h1-9,15,22H,10,12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 323.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is sourced from PubChem (CID 56765305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).