5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide

C35H37NO6 — CID 16664652

IUPAC5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(-c4ccccc4)cc3)c(C(=O)NCCc3ccccc3)c2)OC1(C)C
InChIInChI=1S/C35H37NO6/c1-35(2)32(40-3)30(37)31(38)34(42-35)41-27-18-19-28(26-16-14-25(15-17-26)24-12-8-5-9-13-24)29(22-27)33(39)36-21-20-23-10-6-4-7-11-23/h4-19,22,30-32,34,37-38H,20-21H2,1-3H3,(H,36,39)/t30-,31+,32+,34+/m0/s1
InChIKeyMVVUCVQHDSONTE-ILVDDAPESA-N
MW567.68 g/mol
LogP5.24
Rot. Bonds9

About 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide

5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide (PubChem CID 16664652) has the molecular formula C35H37NO6 and a molecular weight of 567.68 g/mol. Its IUPAC name is 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide
PubChem CID16664652
Molecular FormulaC35H37NO6
Molecular Weight567.68 g/mol
Exact Mass567.26
IUPAC Name5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(-c4ccccc4)cc3)c(C(=O)NCCc3ccccc3)c2)OC1(C)C
InChIInChI=1S/C35H37NO6/c1-35(2)32(40-3)30(37)31(38)34(42-35)41-27-18-19-28(26-16-14-25(15-17-26)24-12-8-5-9-13-24)29(22-27)33(39)36-21-20-23-10-6-4-7-11-23/h4-19,22,30-32,34,37-38H,20-21H2,1-3H3,(H,36,39)/t30-,31+,32+,34+/m0/s1
InChIKeyMVVUCVQHDSONTE-ILVDDAPESA-N
XLogP5.24
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.68
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-phenylbenzamide
CID 16664408
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-methoxyphenyl)-N-(3-phenylpropyl)benzamide
CID 16664400
2-dibenzofuran-4-yl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)benzamide
CID 16665005
N-[2-[4-[(3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-phenylphenyl]ethyl]acetamide
CID 71696412
2-dibenzofuran-4-yl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(3-phenylpropyl)benzamide
CID 16665001
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
7-[(2R,4R,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-4-methyl-3-phenylchromen-2-one
CID 89138143
CID 160973631
CID 160973631
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
N-(2-phenylethyl)-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
CID 68562240
N-[2-[4-[[(7R,8R,9S,10R)-8,9-dihydroxy-10-methoxy-6-oxaspiro[4.5]dec-2-en-7-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365103
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
CID 16663907

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide?
The IUPAC name of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide (CID 16664652) is 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide.
What is the SMILES notation for 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide?
The canonical SMILES for 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide is CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(-c4ccccc4)cc3)c(C(=O)NCCc3ccccc3)c2)OC1(C)C.
What is the InChIKey of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide?
The InChIKey is MVVUCVQHDSONTE-ILVDDAPESA-N. The full InChI is InChI=1S/C35H37NO6/c1-35(2)32(40-3)30(37)31(38)34(42-35)41-27-18-19-28(26-16-14-25(15-17-26)24-12-8-5-9-13-24)29(22-27)33(39)36-21-20-23-10-6-4-7-11-23/h4-19,22,30-32,34,37-38H,20-21H2,1-3H3,(H,36,39)/t30-,31+,32+,34+/m0/s1.
What are the key properties of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide?
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide has a molecular weight of 567.68 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-N-(2-phenylethyl)-2-(4-phenylphenyl)benzamide is sourced from PubChem (CID 16664652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).