(E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide

C17H19NO2 — CID 5350394

IUPAC(E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCCC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-13(2)18-17(19)16(12-15-10-7-11-20-15)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,18,19)/b16-12+
InChIKeyDXIDYMIAXBFAPH-FOWTUZBSSA-N
MW269.34 g/mol
LogP3.73
Rot. Bonds5

About (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 5350394) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID5350394
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCCC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-13(2)18-17(19)16(12-15-10-7-11-20-15)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,18,19)/b16-12+
InChIKeyDXIDYMIAXBFAPH-FOWTUZBSSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 5350394) is (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide is CCC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is DXIDYMIAXBFAPH-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-13(2)18-17(19)16(12-15-10-7-11-20-15)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,18,19)/b16-12+.
What are the key properties of (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 269.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 5350394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).