N'-(3-methylphenyl)-N-prop-2-enyloxamide

C12H14N2O2 — CID 2290778

IUPACN'-(3-methylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H14N2O2/c1-3-7-13-11(15)12(16)14-10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3,(H,13,15)(H,14,16)
InChIKeyGPTVQQIWEXFWEH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.24
Rot. Bonds3

About N'-(3-methylphenyl)-N-prop-2-enyloxamide

N'-(3-methylphenyl)-N-prop-2-enyloxamide (PubChem CID 2290778) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-prop-2-enyloxamide
PubChem CID2290778
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN'-(3-methylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H14N2O2/c1-3-7-13-11(15)12(16)14-10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3,(H,13,15)(H,14,16)
InChIKeyGPTVQQIWEXFWEH-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.24
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

1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
1-(3-methylphenyl)-3-prop-2-enylthiourea
CID 3492074
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
N'-(4-methoxyphenyl)-N-prop-2-enyloxamide
CID 3102348
1-(3-methylanilino)-3-prop-2-enylthiourea
CID 8668733
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(3-methylphenyl)-N-prop-2-enyloxamide (CID 2290778) is N'-(3-methylphenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-prop-2-enyloxamide?
The InChIKey is GPTVQQIWEXFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-7-13-11(15)12(16)14-10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(3-methylphenyl)-N-prop-2-enyloxamide?
N'-(3-methylphenyl)-N-prop-2-enyloxamide has a molecular weight of 218.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 2290778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).