N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C30H35NO6 — CID 134866273

IUPACN-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCc2ccccc2)[C@H](OCc2ccccc2)C(COCc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C30H35NO6/c1-22(33)31-28-26(17-32)37-27(21-34-18-23-11-5-2-6-12-23)29(35-19-24-13-7-3-8-14-24)30(28)36-20-25-15-9-4-10-16-25/h2-16,26-30,32H,17-21H2,1H3,(H,31,33)/t26-,27?,28?,29-,30?/m1/s1
InChIKeyWDVPRFDSCICHBR-HZIMPIFISA-N
MW505.61 g/mol
LogP3.64
Rot. Bonds12

About N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 134866273) has the molecular formula C30H35NO6 and a molecular weight of 505.61 g/mol. Its IUPAC name is N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID134866273
Molecular FormulaC30H35NO6
Molecular Weight505.61 g/mol
Exact Mass505.25
IUPAC NameN-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCc2ccccc2)[C@H](OCc2ccccc2)C(COCc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C30H35NO6/c1-22(33)31-28-26(17-32)37-27(21-34-18-23-11-5-2-6-12-23)29(35-19-24-13-7-3-8-14-24)30(28)36-20-25-15-9-4-10-16-25/h2-16,26-30,32H,17-21H2,1H3,(H,31,33)/t26-,27?,28?,29-,30?/m1/s1
InChIKeyWDVPRFDSCICHBR-HZIMPIFISA-N
XLogP3.64
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 134866273) is N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(OCc2ccccc2)[C@H](OCc2ccccc2)C(COCc2ccccc2)O[C@@H]1CO.
What is the InChIKey of N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is WDVPRFDSCICHBR-HZIMPIFISA-N. The full InChI is InChI=1S/C30H35NO6/c1-22(33)31-28-26(17-32)37-27(21-34-18-23-11-5-2-6-12-23)29(35-19-24-13-7-3-8-14-24)30(28)36-20-25-15-9-4-10-16-25/h2-16,26-30,32H,17-21H2,1H3,(H,31,33)/t26-,27?,28?,29-,30?/m1/s1.
What are the key properties of N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 505.61 g/mol, XLogP of 3.64, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134866273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).