(E)-2-(4-butylphenyl)-4-methylpent-2-enamide

C16H23NO — CID 123617537

IUPAC(E)-2-(4-butylphenyl)-4-methylpent-2-enamide
SMILESCCCCc1ccc(/C(=C\C(C)C)C(N)=O)cc1
InChIInChI=1S/C16H23NO/c1-4-5-6-13-7-9-14(10-8-13)15(16(17)18)11-12(2)3/h7-12H,4-6H2,1-3H3,(H2,17,18)/b15-11+
InChIKeyVYDSHRVQCFZDLZ-RVDMUPIBSA-N
MW245.37 g/mol
LogP3.55
Rot. Bonds6

About (E)-2-(4-butylphenyl)-4-methylpent-2-enamide

(E)-2-(4-butylphenyl)-4-methylpent-2-enamide (PubChem CID 123617537) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-2-(4-butylphenyl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-butylphenyl)-4-methylpent-2-enamide
PubChem CID123617537
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-2-(4-butylphenyl)-4-methylpent-2-enamide
SMILESCCCCc1ccc(/C(=C\C(C)C)C(N)=O)cc1
InChIInChI=1S/C16H23NO/c1-4-5-6-13-7-9-14(10-8-13)15(16(17)18)11-12(2)3/h7-12H,4-6H2,1-3H3,(H2,17,18)/b15-11+
InChIKeyVYDSHRVQCFZDLZ-RVDMUPIBSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.55
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-(4-butylphenyl)-4-methylpent-2-enamide?
The IUPAC name of (E)-2-(4-butylphenyl)-4-methylpent-2-enamide (CID 123617537) is (E)-2-(4-butylphenyl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-2-(4-butylphenyl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-2-(4-butylphenyl)-4-methylpent-2-enamide is CCCCc1ccc(/C(=C\C(C)C)C(N)=O)cc1.
What is the InChIKey of (E)-2-(4-butylphenyl)-4-methylpent-2-enamide?
The InChIKey is VYDSHRVQCFZDLZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-5-6-13-7-9-14(10-8-13)15(16(17)18)11-12(2)3/h7-12H,4-6H2,1-3H3,(H2,17,18)/b15-11+.
What are the key properties of (E)-2-(4-butylphenyl)-4-methylpent-2-enamide?
(E)-2-(4-butylphenyl)-4-methylpent-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-butylphenyl)-4-methylpent-2-enamide is sourced from PubChem (CID 123617537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).