N-(2-phenylethyl)-N'-prop-2-enyloxamide

C13H16N2O2 — CID 2058117

IUPACN-(2-phenylethyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-9-14-12(16)13(17)15-10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,16)(H,15,17)
InChIKeyPLLIJYRPSUDSLX-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.65
Rot. Bonds5

About N-(2-phenylethyl)-N'-prop-2-enyloxamide

N-(2-phenylethyl)-N'-prop-2-enyloxamide (PubChem CID 2058117) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-prop-2-enyloxamide
PubChem CID2058117
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-phenylethyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-9-14-12(16)13(17)15-10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,16)(H,15,17)
InChIKeyPLLIJYRPSUDSLX-UHFFFAOYSA-N
XLogP0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.65
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-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
CID 16891475
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
CID 90499658
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
N,N-dimethyl-2-[[(2-phenylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111134445
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
1,1,3-tris(2-phenylethyl)urea
CID 123287811
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(2-phenylethyl)-N'-prop-2-enyloxamide (CID 2058117) is N-(2-phenylethyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-N'-prop-2-enyloxamide?
The InChIKey is PLLIJYRPSUDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-9-14-12(16)13(17)15-10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-phenylethyl)-N'-prop-2-enyloxamide?
N-(2-phenylethyl)-N'-prop-2-enyloxamide has a molecular weight of 232.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 2058117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).