N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

C19H22N2O3 — CID 90534548

IUPACN'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-14-8-10-16(11-9-14)21-19(24)18(23)20-13-17(22)12-15-6-4-3-5-7-15/h3-11,17,22H,2,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyAJVZLZKQPYRVJD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds6

About N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (PubChem CID 90534548) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
PubChem CID90534548
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-14-8-10-16(11-9-14)21-19(24)18(23)20-13-17(22)12-15-6-4-3-5-7-15/h3-11,17,22H,2,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyAJVZLZKQPYRVJD-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
CID 110910480
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
CID 121112357

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (CID 90534548) is N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is CCc1ccc(NC(=O)C(=O)NCC(O)Cc2ccccc2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is AJVZLZKQPYRVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-14-8-10-16(11-9-14)21-19(24)18(23)20-13-17(22)12-15-6-4-3-5-7-15/h3-11,17,22H,2,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 1.91, 6 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-3-phenylpropyl)oxamide is sourced from PubChem (CID 90534548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).