N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide

C17H18N2O3 — CID 2891332

IUPACN-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-5-9-14(10-12)19-17(22)16(21)18-11-15(20)13-7-3-2-4-8-13/h2-10,15,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyCXQKOMHXHBTNBM-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.78
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide

N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide (PubChem CID 2891332) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide
PubChem CID2891332
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-5-9-14(10-12)19-17(22)16(21)18-11-15(20)13-7-3-2-4-8-13/h2-10,15,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyCXQKOMHXHBTNBM-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.78
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-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide (CID 2891332) is N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(O)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide?
The InChIKey is CXQKOMHXHBTNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-5-9-14(10-12)19-17(22)16(21)18-11-15(20)13-7-3-2-4-8-13/h2-10,15,20H,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide?
N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide has a molecular weight of 298.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 2891332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).