(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide

C15H20N2O2 — CID 110309509

IUPAC(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
SMILESCC(=O)NCCCNC(=O)/C=C(\C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(14-7-4-3-5-8-14)11-15(19)17-10-6-9-16-13(2)18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,18)(H,17,19)/b12-11+
InChIKeyOLILOIWLRXUCBU-VAWYXSNFSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds6

About (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide

(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide (PubChem CID 110309509) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
PubChem CID110309509
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
SMILESCC(=O)NCCCNC(=O)/C=C(\C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(14-7-4-3-5-8-14)11-15(19)17-10-6-9-16-13(2)18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,18)(H,17,19)/b12-11+
InChIKeyOLILOIWLRXUCBU-VAWYXSNFSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

(E)-3-phenyl-N-prop-2-enylbut-2-enamide
CID 6435359
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
(E)-N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-phenylbut-2-enamide
CID 110417118
N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
CID 110309408
(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
CID 95621354
(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
CID 56534634
(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
CID 110297035
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
CID 10632099
(E)-3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)but-2-enamide
CID 110306630
N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
CID 82100086
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide (CID 110309509) is (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide is CC(=O)NCCCNC(=O)/C=C(\C)c1ccccc1.
What is the InChIKey of (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide?
The InChIKey is OLILOIWLRXUCBU-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(14-7-4-3-5-8-14)11-15(19)17-10-6-9-16-13(2)18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,18)(H,17,19)/b12-11+.
What are the key properties of (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide?
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide is sourced from PubChem (CID 110309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).