N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide

C18H20N2O3 — CID 2883735

IUPACN'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-13-8-10-15(11-9-13)20-18(23)17(22)19-12-16(21)14-6-4-3-5-7-14/h3-11,16,21H,2,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyJDIULEQQMTYZLG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.04
Rot. Bonds5

About N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide

N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide (PubChem CID 2883735) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
PubChem CID2883735
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-13-8-10-15(11-9-13)20-18(23)17(22)19-12-16(21)14-6-4-3-5-7-14/h3-11,16,21H,2,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyJDIULEQQMTYZLG-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide (CID 2883735) is N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide is CCc1ccc(NC(=O)C(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The InChIKey is JDIULEQQMTYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-13-8-10-15(11-9-13)20-18(23)17(22)19-12-16(21)14-6-4-3-5-7-14/h3-11,16,21H,2,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide is sourced from PubChem (CID 2883735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).