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

C21H23NO2 — CID 846516

IUPAC(E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)22-17-21(13-15-24-16-14-21)19-9-5-2-6-10-19/h1-12H,13-17H2,(H,22,23)/b12-11+
InChIKeyPVUVPTZENQVNNO-VAWYXSNFSA-N
MW321.42 g/mol
LogP3.56
Rot. Bonds5

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

(E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide (PubChem CID 846516) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
PubChem CID846516
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)22-17-21(13-15-24-16-14-21)19-9-5-2-6-10-19/h1-12H,13-17H2,(H,22,23)/b12-11+
InChIKeyPVUVPTZENQVNNO-VAWYXSNFSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.56
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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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
N-(4-Phenyl-tetrahydro-pyran-4-ylmethyl)-2-pyrrolidin-1-yl-acetamide
CID 6603489
2-Dipropylamino-N-(4-phenyl-tetrahydro-pyran-4-ylmethyl)-acetamide
CID 9549399
2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 709759
2-Diethylamino-N-(4-phenyl-tetrahydro-pyran-4-ylmethyl)-acetamide
CID 9549611
(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 44526973
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 27448775
N-[(4-phenyloxan-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 27448797
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}-2-methylbenzamide
CID 27449958
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide (CID 846516) is (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
The InChIKey is PVUVPTZENQVNNO-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)22-17-21(13-15-24-16-14-21)19-9-5-2-6-10-19/h1-12H,13-17H2,(H,22,23)/b12-11+.
What are the key properties of (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide?
(E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide has a molecular weight of 321.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 846516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).