(2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide

C34H37N3O8 — CID 166449613

IUPAC(2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)Nc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1
InChIInChI=1S/C34H37N3O8/c1-20-18-21(2)36-33(35-20)45-31(34(43-3,23-10-6-4-7-11-23)24-12-8-5-9-13-24)32(42)37-25-16-14-22(15-17-25)30-29(41)28(40)27(39)26(19-38)44-30/h4-18,26-31,38-41H,19H2,1-3H3,(H,37,42)/t26-,27-,28+,29?,30+,31+/m1/s1
InChIKeyDCOVIFOILPFWFF-PSRIODPMSA-N
MW615.68 g/mol
LogP2.58
Rot. Bonds10

About (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide

(2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide (PubChem CID 166449613) has the molecular formula C34H37N3O8 and a molecular weight of 615.68 g/mol. Its IUPAC name is (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide
PubChem CID166449613
Molecular FormulaC34H37N3O8
Molecular Weight615.68 g/mol
Exact Mass615.26
IUPAC Name(2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)Nc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1
InChIInChI=1S/C34H37N3O8/c1-20-18-21(2)36-33(35-20)45-31(34(43-3,23-10-6-4-7-11-23)24-12-8-5-9-13-24)32(42)37-25-16-14-22(15-17-25)30-29(41)28(40)27(39)26(19-38)44-30/h4-18,26-31,38-41H,19H2,1-3H3,(H,37,42)/t26-,27-,28+,29?,30+,31+/m1/s1
InChIKeyDCOVIFOILPFWFF-PSRIODPMSA-N
XLogP2.58
TPSA163.49 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.68
LogP ≤ 52.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-[6-(dihydroxyamino)oxyhexyl]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanamide
CID 89144971
2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoic acid
CID 25183520
(2S)-3-methoxy-2-[4-methyl-6-(trideuteriomethyl)pyrimidin-2-yl]oxy-3,3-diphenylpropanoic acid
CID 25217500
6-[[2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoyl]amino]hexyl nitrate
CID 76639767
(2S)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 41068863
(2S)-3-[2-(benzylamino)-2-oxoethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 70027533
(2S)-3-(2-hydroxyethoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 142845192
3-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic acid
CID 46190839
3-(dihydroxyamino)oxypropyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate
CID 89145041
(2S,3R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-phenyl-3-phenylmethoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 40884433
2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
CID 70309923
(2R,3S,4R,5S,6R)-2-(4-bromo-3-methoxyphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71730535

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide (CID 166449613) is (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide is COC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)Nc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1.
What is the InChIKey of (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide?
The InChIKey is DCOVIFOILPFWFF-PSRIODPMSA-N. The full InChI is InChI=1S/C34H37N3O8/c1-20-18-21(2)36-33(35-20)45-31(34(43-3,23-10-6-4-7-11-23)24-12-8-5-9-13-24)32(42)37-25-16-14-22(15-17-25)30-29(41)28(40)27(39)26(19-38)44-30/h4-18,26-31,38-41H,19H2,1-3H3,(H,37,42)/t26-,27-,28+,29?,30+,31+/m1/s1.
What are the key properties of (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide?
(2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide has a molecular weight of 615.68 g/mol, XLogP of 2.58, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-N-[4-[(2S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propanamide is sourced from PubChem (CID 166449613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).