N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide

C29H32FNO5 — CID 562704

IUPACN-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCc2ccccc2)OC(CF)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)
InChIKeyCNENJSGJNDRCHS-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.57
Rot. Bonds11

About N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide

N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide (PubChem CID 562704) has the molecular formula C29H32FNO5 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide
PubChem CID562704
Molecular FormulaC29H32FNO5
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC NameN-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCc2ccccc2)OC(CF)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)
InChIKeyCNENJSGJNDRCHS-UHFFFAOYSA-N
XLogP4.57
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
The IUPAC name of N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide (CID 562704) is N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
The canonical SMILES for N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide is CC(=O)NC1C(OCc2ccccc2)OC(CF)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
The InChIKey is CNENJSGJNDRCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32).
What are the key properties of N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide?
N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide has a molecular weight of 493.58 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(fluoromethyl)-2,4,5-tris(phenylmethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 562704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).