N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide

C13H15NO — CID 89087492

IUPACN,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
SMILESC=C(C)C(=C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H15NO/c1-10(2)11(3)13(15)14(4)12-8-6-5-7-9-12/h5-9H,1,3H2,2,4H3
InChIKeyBHSZPIIKCGLQKE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.78
Rot. Bonds3

About N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide

N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide (PubChem CID 89087492) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide.

Molecular Properties

Compound NameN,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
PubChem CID89087492
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
SMILESC=C(C)C(=C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H15NO/c1-10(2)11(3)13(15)14(4)12-8-6-5-7-9-12/h5-9H,1,3H2,2,4H3
InChIKeyBHSZPIIKCGLQKE-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
(E)-N,2-dimethyl-N-phenylbut-2-enamide
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3-hydroxy-N,4,4-trimethyl-2-methylidene-N-phenylpentanamide
CID 15519221
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide
CID 135666294
2-(N-methylanilino)prop-2-enal
CID 88506227
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
CID 47333935
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide?
The IUPAC name of N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide (CID 89087492) is N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide.
What is the SMILES notation for N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide?
The canonical SMILES for N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide is C=C(C)C(=C)C(=O)N(C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide?
The InChIKey is BHSZPIIKCGLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(2)11(3)13(15)14(4)12-8-6-5-7-9-12/h5-9H,1,3H2,2,4H3.
What are the key properties of N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide?
N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide has a molecular weight of 201.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide is sourced from PubChem (CID 89087492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).