(E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide

C19H21NO3 — CID 5399291

IUPAC(E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H21NO3/c21-18(9-8-17-7-4-12-23-17)20-15-19(10-13-22-14-11-19)16-5-2-1-3-6-16/h1-9,12H,10-11,13-15H2,(H,20,21)/b9-8+
InChIKeyVMPCFFHTPCMDCB-CMDGGOBGSA-N
MW311.38 g/mol
LogP3.16
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide (PubChem CID 5399291) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
PubChem CID5399291
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H21NO3/c21-18(9-8-17-7-4-12-23-17)20-15-19(10-13-22-14-11-19)16-5-2-1-3-6-16/h1-9,12H,10-11,13-15H2,(H,20,21)/b9-8+
InChIKeyVMPCFFHTPCMDCB-CMDGGOBGSA-N
XLogP3.16
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide (CID 5399291) is (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
The InChIKey is VMPCFFHTPCMDCB-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(9-8-17-7-4-12-23-17)20-15-19(10-13-22-14-11-19)16-5-2-1-3-6-16/h1-9,12H,10-11,13-15H2,(H,20,21)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 5399291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).