3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide

C48H47N3O10 — CID 11977232

IUPAC3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCOc1ccc(COC[C@H]2O[C@@H](NC(=O)n3cc(C)c(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C48H47N3O10/c1-33-27-50(48(55)51(45(33)52)46(53)38-21-13-6-14-22-38)47(54)49-44-43(60-31-36-19-11-5-12-20-36)42(59-30-35-17-9-4-10-18-35)41(58-29-34-15-7-3-8-16-34)40(61-44)32-57-28-37-23-25-39(56-2)26-24-37/h3-27,40-44H,28-32H2,1-2H3,(H,49,54)/t40-,41-,42+,43-,44-/m1/s1
InChIKeyDBRZHDVAIYZBQJ-LUKFIAJXSA-N
MW825.92 g/mol
LogP6.27
Rot. Bonds16

About 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide

3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 11977232) has the molecular formula C48H47N3O10 and a molecular weight of 825.92 g/mol. Its IUPAC name is 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID11977232
Molecular FormulaC48H47N3O10
Molecular Weight825.92 g/mol
Exact Mass825.33
IUPAC Name3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCOc1ccc(COC[C@H]2O[C@@H](NC(=O)n3cc(C)c(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C48H47N3O10/c1-33-27-50(48(55)51(45(33)52)46(53)38-21-13-6-14-22-38)47(54)49-44-43(60-31-36-19-11-5-12-20-36)42(59-30-35-17-9-4-10-18-35)41(58-29-34-15-7-3-8-16-34)40(61-44)32-57-28-37-23-25-39(56-2)26-24-37/h3-27,40-44H,28-32H2,1-2H3,(H,49,54)/t40-,41-,42+,43-,44-/m1/s1
InChIKeyDBRZHDVAIYZBQJ-LUKFIAJXSA-N
XLogP6.27
TPSA145.55 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.92
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide 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

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]carbamate
CID 101408323
N-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzamide
CID 132990345
N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 10627095
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
1-benzyl-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]urea
CID 102255225
1-[(4-methoxyphenyl)methyl]-4-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]amino]pyrimidin-2-one
CID 102303901
(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
(4-methoxyphenyl)-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanylbenzimidazol-1-yl]methanone
CID 132938450
1-phenyl-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanone
CID 164669346
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] N-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]carbamate
CID 102396246
1-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-3-[4-[[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]carbamoylamino]butyl]urea
CID 11521002

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide (CID 11977232) is 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide is COc1ccc(COC[C@H]2O[C@@H](NC(=O)n3cc(C)c(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is DBRZHDVAIYZBQJ-LUKFIAJXSA-N. The full InChI is InChI=1S/C48H47N3O10/c1-33-27-50(48(55)51(45(33)52)46(53)38-21-13-6-14-22-38)47(54)49-44-43(60-31-36-19-11-5-12-20-36)42(59-30-35-17-9-4-10-18-35)41(58-29-34-15-7-3-8-16-34)40(61-44)32-57-28-37-23-25-39(56-2)26-24-37/h3-27,40-44H,28-32H2,1-2H3,(H,49,54)/t40-,41-,42+,43-,44-/m1/s1.
What are the key properties of 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide?
3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 825.92 g/mol, XLogP of 6.27, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-methyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 11977232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).