N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide

C13H18N2O3 — CID 2291462

IUPACN'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1
InChIInChI=1S/C13H18N2O3/c1-3-10-4-6-11(7-5-10)15-13(18)12(17)14-8-9(2)16/h4-7,9,16H,3,8H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyCONSDQDYWGFXFP-VIFPVBQESA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds4

About N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide

N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide (PubChem CID 2291462) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
PubChem CID2291462
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1
InChIInChI=1S/C13H18N2O3/c1-3-10-4-6-11(7-5-10)15-13(18)12(17)14-8-9(2)16/h4-7,9,16H,3,8H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyCONSDQDYWGFXFP-VIFPVBQESA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
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-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide
CID 90152027
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide (CID 2291462) is N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide is CCc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
The InChIKey is CONSDQDYWGFXFP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-10-4-6-11(7-5-10)15-13(18)12(17)14-8-9(2)16/h4-7,9,16H,3,8H2,1-2H3,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide?
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 2291462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).