N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C32H39NO3 — CID 71300186

IUPACN-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CCc2ccccc2)[C@H](C)[C@@H](COCc2ccccc2)O[C@@H]1CCc1ccccc1
InChIInChI=1S/C32H39NO3/c1-24-29(20-18-26-12-6-3-7-13-26)32(33-25(2)34)30(21-19-27-14-8-4-9-15-27)36-31(24)23-35-22-28-16-10-5-11-17-28/h3-17,24,29-32H,18-23H2,1-2H3,(H,33,34)/t24-,29-,30+,31+,32+/m0/s1
InChIKeyLKNVPXFVIXXDBZ-CAUGGUKASA-N
MW485.67 g/mol
LogP5.99
Rot. Bonds11

About N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 71300186) has the molecular formula C32H39NO3 and a molecular weight of 485.67 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID71300186
Molecular FormulaC32H39NO3
Molecular Weight485.67 g/mol
Exact Mass485.29
IUPAC NameN-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CCc2ccccc2)[C@H](C)[C@@H](COCc2ccccc2)O[C@@H]1CCc1ccccc1
InChIInChI=1S/C32H39NO3/c1-24-29(20-18-26-12-6-3-7-13-26)32(33-25(2)34)30(21-19-27-14-8-4-9-15-27)36-31(24)23-35-22-28-16-10-5-11-17-28/h3-17,24,29-32H,18-23H2,1-2H3,(H,33,34)/t24-,29-,30+,31+,32+/m0/s1
InChIKeyLKNVPXFVIXXDBZ-CAUGGUKASA-N
XLogP5.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(3R,4S,5S,6R)-2-chloro-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]acetamide
CID 54321501
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
methyl (2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 11214760
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 10627095
N-[(2R,5R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146162729
N-[(4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146030326
N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 11200838

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 71300186) is N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](CCc2ccccc2)[C@H](C)[C@@H](COCc2ccccc2)O[C@@H]1CCc1ccccc1.
What is the InChIKey of N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is LKNVPXFVIXXDBZ-CAUGGUKASA-N. The full InChI is InChI=1S/C32H39NO3/c1-24-29(20-18-26-12-6-3-7-13-26)32(33-25(2)34)30(21-19-27-14-8-4-9-15-27)36-31(24)23-35-22-28-16-10-5-11-17-28/h3-17,24,29-32H,18-23H2,1-2H3,(H,33,34)/t24-,29-,30+,31+,32+/m0/s1.
What are the key properties of N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 485.67 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 71300186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).