N'-(4-ethylphenyl)-N-prop-2-enyloxamide

C13H16N2O2 — CID 7541573

IUPACN'-(4-ethylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C13H16N2O2/c1-3-9-14-12(16)13(17)15-11-7-5-10(4-2)6-8-11/h3,5-8H,1,4,9H2,2H3,(H,14,16)(H,15,17)
InChIKeyAOHCONYETGHOKV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.49
Rot. Bonds4

About N'-(4-ethylphenyl)-N-prop-2-enyloxamide

N'-(4-ethylphenyl)-N-prop-2-enyloxamide (PubChem CID 7541573) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-prop-2-enyloxamide
PubChem CID7541573
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN'-(4-ethylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C13H16N2O2/c1-3-9-14-12(16)13(17)15-11-7-5-10(4-2)6-8-11/h3,5-8H,1,4,9H2,2H3,(H,14,16)(H,15,17)
InChIKeyAOHCONYETGHOKV-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-prop-2-enyloxamide
CID 3102348
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-prop-2-enyloxamide (CID 7541573) is N'-(4-ethylphenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-prop-2-enyloxamide?
The InChIKey is AOHCONYETGHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9-14-12(16)13(17)15-11-7-5-10(4-2)6-8-11/h3,5-8H,1,4,9H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-ethylphenyl)-N-prop-2-enyloxamide?
N'-(4-ethylphenyl)-N-prop-2-enyloxamide has a molecular weight of 232.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 7541573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).