(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide

C16H17NO2 — CID 2282851

IUPAC(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-12(2)17-16(18)15(11-14-9-6-10-19-14)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,17,18)/b15-11+
InChIKeyOZIHTSCFUFFMLM-RVDMUPIBSA-N
MW255.32 g/mol
LogP3.34
Rot. Bonds4

About (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide

(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide (PubChem CID 2282851) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide
PubChem CID2282851
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-12(2)17-16(18)15(11-14-9-6-10-19-14)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,17,18)/b15-11+
InChIKeyOZIHTSCFUFFMLM-RVDMUPIBSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.34
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)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide (CID 2282851) is (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide?
The InChIKey is OZIHTSCFUFFMLM-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(2)17-16(18)15(11-14-9-6-10-19-14)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,17,18)/b15-11+.
What are the key properties of (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide?
(E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-phenyl-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 2282851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).