4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide

C23H28FNO3 — CID 90599585

IUPAC4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide
SMILESCCC(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)(OC)c1ccccc1
InChIInChI=1S/C23H28FNO3/c1-3-23(27-2,19-7-5-4-6-8-19)17-25-21(26)22(13-15-28-16-14-22)18-9-11-20(24)12-10-18/h4-12H,3,13-17H2,1-2H3,(H,25,26)
InChIKeyRFRDHUNJSHYWKU-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.94
Rot. Bonds7

About 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide

4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide (PubChem CID 90599585) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide
PubChem CID90599585
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide
SMILESCCC(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)(OC)c1ccccc1
InChIInChI=1S/C23H28FNO3/c1-3-23(27-2,19-7-5-4-6-8-19)17-25-21(26)22(13-15-28-16-14-22)18-9-11-20(24)12-10-18/h4-12H,3,13-17H2,1-2H3,(H,25,26)
InChIKeyRFRDHUNJSHYWKU-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide (CID 90599585) is 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide is CCC(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)(OC)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide?
The InChIKey is RFRDHUNJSHYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-3-23(27-2,19-7-5-4-6-8-19)17-25-21(26)22(13-15-28-16-14-22)18-9-11-20(24)12-10-18/h4-12H,3,13-17H2,1-2H3,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide?
4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 90599585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).