4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide

C24H30FNO4 — CID 132766427

IUPAC4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1
InChIInChI=1S/C24H30FNO4/c1-17(16-28-2)26-23(27)24(10-12-30-13-11-24)15-18-4-6-19(7-5-18)21-14-20(25)8-9-22(21)29-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,26,27)
InChIKeyJLBYDVQSHITQTB-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.99
Rot. Bonds8

About 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide

4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide (PubChem CID 132766427) has the molecular formula C24H30FNO4 and a molecular weight of 415.51 g/mol. Its IUPAC name is 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
PubChem CID132766427
Molecular FormulaC24H30FNO4
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1
InChIInChI=1S/C24H30FNO4/c1-17(16-28-2)26-23(27)24(10-12-30-13-11-24)15-18-4-6-19(7-5-18)21-14-20(25)8-9-22(21)29-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,26,27)
InChIKeyJLBYDVQSHITQTB-UHFFFAOYSA-N
XLogP3.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974447
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2R)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974448
N-[(2S)-butan-2-yl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938836
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
N-[2-(cyclohexen-1-yl)ethyl]-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129453770
N-ethyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082361
[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110082584
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylsulfonylethyl)oxane-4-carboxamide
CID 110075926
4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 110234591
N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129458761
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide (CID 132766427) is 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide is COCC(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1.
What is the InChIKey of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
The InChIKey is JLBYDVQSHITQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO4/c1-17(16-28-2)26-23(27)24(10-12-30-13-11-24)15-18-4-6-19(7-5-18)21-14-20(25)8-9-22(21)29-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,26,27).
What are the key properties of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 132766427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).