(E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide

C14H19NO — CID 59883904

IUPAC(E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide
SMILESCC/C=C(/C(=O)NC)c1ccc(C)c(C)c1
InChIInChI=1S/C14H19NO/c1-5-6-13(14(16)15-4)12-8-7-10(2)11(3)9-12/h6-9H,5H2,1-4H3,(H,15,16)/b13-6+
InChIKeyKEJIEZLEROLLOV-AWNIVKPZSA-N
MW217.31 g/mol
LogP2.84
Rot. Bonds3

About (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide

(E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide (PubChem CID 59883904) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide
PubChem CID59883904
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide
SMILESCC/C=C(/C(=O)NC)c1ccc(C)c(C)c1
InChIInChI=1S/C14H19NO/c1-5-6-13(14(16)15-4)12-8-7-10(2)11(3)9-12/h6-9H,5H2,1-4H3,(H,15,16)/b13-6+
InChIKeyKEJIEZLEROLLOV-AWNIVKPZSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide?
The IUPAC name of (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide (CID 59883904) is (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide.
What is the SMILES notation for (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide?
The canonical SMILES for (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide is CC/C=C(/C(=O)NC)c1ccc(C)c(C)c1.
What is the InChIKey of (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide?
The InChIKey is KEJIEZLEROLLOV-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-6-13(14(16)15-4)12-8-7-10(2)11(3)9-12/h6-9H,5H2,1-4H3,(H,15,16)/b13-6+.
What are the key properties of (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide?
(E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethylphenyl)-N-methylpent-2-enamide is sourced from PubChem (CID 59883904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).