(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide

C12H16N2O — CID 70960210

IUPAC(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
SMILESCN/C(C)=C(/C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10(2)13-3)12(15)14-11-7-5-4-6-8-11/h4-8,13H,1-3H3,(H,14,15)/b10-9-
InChIKeyZYOPWSLGUFRIBH-KTKRTIGZSA-N
MW204.27 g/mol
LogP2.14
Rot. Bonds3

About (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide

(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide (PubChem CID 70960210) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
PubChem CID70960210
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
SMILESCN/C(C)=C(/C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10(2)13-3)12(15)14-11-7-5-4-6-8-11/h4-8,13H,1-3H3,(H,14,15)/b10-9-
InChIKeyZYOPWSLGUFRIBH-KTKRTIGZSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.14
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

(E)-2-chloro-3-methyl-N,N'-diphenylbut-2-enediamide
CID 88680256
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
cobalt;N-phenylacetamide
CID 158689050
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
acetyl bromide;N-phenylacetamide
CID 175285562
potassium 2-anilino-2-oxoacetate
CID 23690423
N-methylethanamine;N-phenylacetamide
CID 156841550
1-methyl-3-phenylurea;propane
CID 142949663
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide?
The IUPAC name of (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide (CID 70960210) is (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide is CN/C(C)=C(/C)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide?
The InChIKey is ZYOPWSLGUFRIBH-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(10(2)13-3)12(15)14-11-7-5-4-6-8-11/h4-8,13H,1-3H3,(H,14,15)/b10-9-.
What are the key properties of (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide?
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide is sourced from PubChem (CID 70960210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).