N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C35H43NO6 — CID 10929889

IUPACN-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1C1(O)CCCCC1
InChIInChI=1S/C35H43NO6/c1-26(37)36-31-33(41-24-29-18-10-4-11-19-29)32(40-23-28-16-8-3-9-17-28)30(25-39-22-27-14-6-2-7-15-27)42-34(31)35(38)20-12-5-13-21-35/h2-4,6-11,14-19,30-34,38H,5,12-13,20-25H2,1H3,(H,36,37)/t30-,31-,32+,33-,34+/m1/s1
InChIKeyNKTTUPRFPRGVRA-RUOAZZEASA-N
MW573.73 g/mol
LogP5.34
Rot. Bonds12

About N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 10929889) has the molecular formula C35H43NO6 and a molecular weight of 573.73 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID10929889
Molecular FormulaC35H43NO6
Molecular Weight573.73 g/mol
Exact Mass573.31
IUPAC NameN-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1C1(O)CCCCC1
InChIInChI=1S/C35H43NO6/c1-26(37)36-31-33(41-24-29-18-10-4-11-19-29)32(40-23-28-16-8-3-9-17-28)30(25-39-22-27-14-6-2-7-15-27)42-34(31)35(38)20-12-5-13-21-35/h2-4,6-11,14-19,30-34,38H,5,12-13,20-25H2,1H3,(H,36,37)/t30-,31-,32+,33-,34+/m1/s1
InChIKeyNKTTUPRFPRGVRA-RUOAZZEASA-N
XLogP5.34
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.73
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-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,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 10929889) is N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1C1(O)CCCCC1.
What is the InChIKey of N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is NKTTUPRFPRGVRA-RUOAZZEASA-N. The full InChI is InChI=1S/C35H43NO6/c1-26(37)36-31-33(41-24-29-18-10-4-11-19-29)32(40-23-28-16-8-3-9-17-28)30(25-39-22-27-14-6-2-7-15-27)42-34(31)35(38)20-12-5-13-21-35/h2-4,6-11,14-19,30-34,38H,5,12-13,20-25H2,1H3,(H,36,37)/t30-,31-,32+,33-,34+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 573.73 g/mol, XLogP of 5.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R,6R)-2-(1-hydroxycyclohexyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 10929889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).