N'-benzyl-N'-methyl-N-prop-2-enyloxamide

C13H16N2O2 — CID 108518780

IUPACN'-benzyl-N'-methyl-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-3-9-14-12(16)13(17)15(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,14,16)
InChIKeyOHTRIKFSAZWVCI-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.95
Rot. Bonds4

About N'-benzyl-N'-methyl-N-prop-2-enyloxamide

N'-benzyl-N'-methyl-N-prop-2-enyloxamide (PubChem CID 108518780) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-prop-2-enyloxamide
PubChem CID108518780
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN'-benzyl-N'-methyl-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-3-9-14-12(16)13(17)15(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,14,16)
InChIKeyOHTRIKFSAZWVCI-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-methyl-N-prop-2-enyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
CID 108518765
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
N-benzyl-N-methyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110981764
N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247874
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-prop-2-enyloxamide?
The IUPAC name of N'-benzyl-N'-methyl-N-prop-2-enyloxamide (CID 108518780) is N'-benzyl-N'-methyl-N-prop-2-enyloxamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-prop-2-enyloxamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-prop-2-enyloxamide?
The InChIKey is OHTRIKFSAZWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9-14-12(16)13(17)15(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,14,16).
What are the key properties of N'-benzyl-N'-methyl-N-prop-2-enyloxamide?
N'-benzyl-N'-methyl-N-prop-2-enyloxamide has a molecular weight of 232.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-prop-2-enyloxamide is sourced from PubChem (CID 108518780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).