(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide

C19H21NO — CID 141109244

IUPAC(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-15H,4-5,8-9H2,(H2,20,21)/b15-14+
InChIKeyJIMAZLXYZVKRFT-CCEZHUSRSA-N
MW279.38 g/mol
LogP3.75
Rot. Bonds7

About (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide

(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide (PubChem CID 141109244) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
PubChem CID141109244
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-15H,4-5,8-9H2,(H2,20,21)/b15-14+
InChIKeyJIMAZLXYZVKRFT-CCEZHUSRSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide (CID 141109244) is (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide is NC(=O)/C=C/c1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide?
The InChIKey is JIMAZLXYZVKRFT-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H21NO/c20-19(21)15-14-18-12-10-17(11-13-18)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-15H,4-5,8-9H2,(H2,20,21)/b15-14+.
What are the key properties of (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide?
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide is sourced from PubChem (CID 141109244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).