2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide

C24H31NO4 — CID 158265028

IUPAC2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
SMILESC[C@@H]1[C@H](C)[C@@H](CC(N)=O)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C24H31NO4/c1-17-18(2)24(28-15-20-11-7-4-8-12-20)22(29-21(17)13-23(25)26)16-27-14-19-9-5-3-6-10-19/h3-12,17-18,21-22,24H,13-16H2,1-2H3,(H2,25,26)/t17-,18+,21+,22+,24-/m0/s1
InChIKeyGIIHQVXHAVXLOU-YKIDYYDRSA-N
MW397.51 g/mol
LogP3.70
Rot. Bonds9

About 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide

2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide (PubChem CID 158265028) has the molecular formula C24H31NO4 and a molecular weight of 397.51 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
PubChem CID158265028
Molecular FormulaC24H31NO4
Molecular Weight397.51 g/mol
Exact Mass397.23
IUPAC Name2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
SMILESC[C@@H]1[C@H](C)[C@@H](CC(N)=O)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C24H31NO4/c1-17-18(2)24(28-15-20-11-7-4-8-12-20)22(29-21(17)13-23(25)26)16-27-14-19-9-5-3-6-10-19/h3-12,17-18,21-22,24H,13-16H2,1-2H3,(H2,25,26)/t17-,18+,21+,22+,24-/m0/s1
InChIKeyGIIHQVXHAVXLOU-YKIDYYDRSA-N
XLogP3.70
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide with MolForge

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Related Compounds

2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 138645338
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 11091791
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
1-phenyl-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanone
CID 164669346
2-[(2R,3R,4R,5R,6R)-4-acetyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 11226405
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
(2R,4S,5S)-2-chloro-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90859316

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide?
The IUPAC name of 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide (CID 158265028) is 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide?
The canonical SMILES for 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide is C[C@@H]1[C@H](C)[C@@H](CC(N)=O)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide?
The InChIKey is GIIHQVXHAVXLOU-YKIDYYDRSA-N. The full InChI is InChI=1S/C24H31NO4/c1-17-18(2)24(28-15-20-11-7-4-8-12-20)22(29-21(17)13-23(25)26)16-27-14-19-9-5-3-6-10-19/h3-12,17-18,21-22,24H,13-16H2,1-2H3,(H2,25,26)/t17-,18+,21+,22+,24-/m0/s1.
What are the key properties of 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide?
2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide has a molecular weight of 397.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 158265028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).