2-methyl-3-phenylbut-2-enediamide

C11H12N2O2 — CID 71247026

IUPAC2-methyl-3-phenylbut-2-enediamide
SMILESCC(C(N)=O)=C(C(N)=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-7(10(12)14)9(11(13)15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)(H2,13,15)
InChIKeyBZRRBIUEFQUXLW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.43
Rot. Bonds3

About 2-methyl-3-phenylbut-2-enediamide

2-methyl-3-phenylbut-2-enediamide (PubChem CID 71247026) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-3-phenylbut-2-enediamide.

Molecular Properties

Compound Name2-methyl-3-phenylbut-2-enediamide
PubChem CID71247026
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-methyl-3-phenylbut-2-enediamide
SMILESCC(C(N)=O)=C(C(N)=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-7(10(12)14)9(11(13)15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)(H2,13,15)
InChIKeyBZRRBIUEFQUXLW-UHFFFAOYSA-N
XLogP0.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
CID 141454955
(E)-2-methyl-3-phenylpent-2-enamide
CID 66881626
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
(E)-3-amino-2-methyl-3-oxo-1-phenylprop-1-ene-1-sulfonic acid
CID 88606482
3-hydroxy-4-phenylhex-3-ene-2,5-dione
CID 76816910
acetyl chloride;benzamide
CID 160666659
2-amino-3-methyl-4-oxo-4-phenylbut-2-enoic acid
CID 173202167
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide
CID 143625554
5-(dimethylamino)-2-methyl-3-phenylpent-2-enamide
CID 139767092
2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylbut-2-enediamide?
The IUPAC name of 2-methyl-3-phenylbut-2-enediamide (CID 71247026) is 2-methyl-3-phenylbut-2-enediamide.
What is the SMILES notation for 2-methyl-3-phenylbut-2-enediamide?
The canonical SMILES for 2-methyl-3-phenylbut-2-enediamide is CC(C(N)=O)=C(C(N)=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylbut-2-enediamide?
The InChIKey is BZRRBIUEFQUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(10(12)14)9(11(13)15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 2-methyl-3-phenylbut-2-enediamide?
2-methyl-3-phenylbut-2-enediamide has a molecular weight of 204.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylbut-2-enediamide is sourced from PubChem (CID 71247026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).