4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide

C23H28FNO4 — CID 124974447

IUPAC4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@H](C)O)CCOCC2)cc1
InChIInChI=1S/C23H28FNO4/c1-16(26)15-25-22(27)23(9-11-29-12-10-23)14-17-3-5-18(6-4-17)20-13-19(24)7-8-21(20)28-2/h3-8,13,16,26H,9-12,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyKQUYHNHVXBNKEO-INIZCTEOSA-N
MW401.48 g/mol
LogP3.34
Rot. Bonds7

About 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide

4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide (PubChem CID 124974447) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
PubChem CID124974447
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC Name4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@H](C)O)CCOCC2)cc1
InChIInChI=1S/C23H28FNO4/c1-16(26)15-25-22(27)23(9-11-29-12-10-23)14-17-3-5-18(6-4-17)20-13-19(24)7-8-21(20)28-2/h3-8,13,16,26H,9-12,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyKQUYHNHVXBNKEO-INIZCTEOSA-N
XLogP3.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2R)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974448
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 132766427
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]-N-(2-piperidin-1-ylsulfonylethyl)oxane-4-carboxamide
CID 110075926
[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110082584
N-[(2S)-butan-2-yl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938836
4-[[3-(3,4-difluorophenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
CID 124938700
methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
CID 110082576
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
CID 110082574

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide?
The IUPAC name of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide (CID 124974447) is 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide is COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@H](C)O)CCOCC2)cc1.
What is the InChIKey of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide?
The InChIKey is KQUYHNHVXBNKEO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-16(26)15-25-22(27)23(9-11-29-12-10-23)14-17-3-5-18(6-4-17)20-13-19(24)7-8-21(20)28-2/h3-8,13,16,26H,9-12,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide?
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide has a molecular weight of 401.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 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-[(2S)-2-hydroxypropyl]oxane-4-carboxamide is sourced from PubChem (CID 124974447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).