(E)-N,2-dimethyl-N-phenylbut-2-enamide

C12H15NO — CID 10867125

IUPAC(E)-N,2-dimethyl-N-phenylbut-2-enamide
SMILESC/C=C(\C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h4-9H,1-3H3/b10-4+
InChIKeyXCAFGSJAWKQHBP-ONNFQVAWSA-N
MW189.26 g/mol
LogP2.62
Rot. Bonds2

About (E)-N,2-dimethyl-N-phenylbut-2-enamide

(E)-N,2-dimethyl-N-phenylbut-2-enamide (PubChem CID 10867125) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-phenylbut-2-enamide
PubChem CID10867125
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-N,2-dimethyl-N-phenylbut-2-enamide
SMILESC/C=C(\C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h4-9H,1-3H3/b10-4+
InChIKeyXCAFGSJAWKQHBP-ONNFQVAWSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
CID 89087492
(E)-N-(benzenecarbonothioyl)-2-methyl-N-phenylbut-2-enamide
CID 14869270
formic acid;methyl(phenyl)carbamic acid
CID 161284118
(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide
CID 135666294
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
CID 47333935
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
CID 108909905
(E)-N-methyl-N,3-diphenylbut-2-enamide
CID 11032331
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-phenylbut-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-N-phenylbut-2-enamide (CID 10867125) is (E)-N,2-dimethyl-N-phenylbut-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-N-phenylbut-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-N-phenylbut-2-enamide is C/C=C(\C)C(=O)N(C)c1ccccc1.
What is the InChIKey of (E)-N,2-dimethyl-N-phenylbut-2-enamide?
The InChIKey is XCAFGSJAWKQHBP-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h4-9H,1-3H3/b10-4+.
What are the key properties of (E)-N,2-dimethyl-N-phenylbut-2-enamide?
(E)-N,2-dimethyl-N-phenylbut-2-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-phenylbut-2-enamide is sourced from PubChem (CID 10867125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).