N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide

C23H28FNO4 — CID 173435568

IUPACN-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
SMILESCCC(OC1CCCC(COc2ccc(NC(C)=O)cc2)O1)c1ccc(F)cc1
InChIInChI=1S/C23H28FNO4/c1-3-22(17-7-9-18(24)10-8-17)29-23-6-4-5-21(28-23)15-27-20-13-11-19(12-14-20)25-16(2)26/h7-14,21-23H,3-6,15H2,1-2H3,(H,25,26)
InChIKeyOPRCAKOMNLYAFL-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.23
Rot. Bonds8

About N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide

N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide (PubChem CID 173435568) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
PubChem CID173435568
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC NameN-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
SMILESCCC(OC1CCCC(COc2ccc(NC(C)=O)cc2)O1)c1ccc(F)cc1
InChIInChI=1S/C23H28FNO4/c1-3-22(17-7-9-18(24)10-8-17)29-23-6-4-5-21(28-23)15-27-20-13-11-19(12-14-20)25-16(2)26/h7-14,21-23H,3-6,15H2,1-2H3,(H,25,26)
InChIKeyOPRCAKOMNLYAFL-UHFFFAOYSA-N
XLogP5.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
CID 13261947
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 129387400
4-[(2S,6S)-6-[(4-fluorophenoxy)methyl]oxan-2-yl]but-3-yn-1-ol
CID 15471017
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 87020615
N-[4-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 19762958
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
CID 20590710

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide (CID 173435568) is N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide is CCC(OC1CCCC(COc2ccc(NC(C)=O)cc2)O1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is OPRCAKOMNLYAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-3-22(17-7-9-18(24)10-8-17)29-23-6-4-5-21(28-23)15-27-20-13-11-19(12-14-20)25-16(2)26/h7-14,21-23H,3-6,15H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 401.48 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 173435568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).