N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide

C24H25N3O5 — CID 5275934

IUPACN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N3O5/c1-2-15-14-27(24(31)26-22(15)29)21-12-19(28)20(32-21)13-25-23(30)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14,19-21,28H,2,12-13H2,1H3,(H,25,30)(H,26,29,31)/t19-,20+,21+/m0/s1
InChIKeyRJXFJSVDKNROFF-PWRODBHTSA-N
MW435.48 g/mol
LogP1.84
Rot. Bonds6

About N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide (PubChem CID 5275934) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide
PubChem CID5275934
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N3O5/c1-2-15-14-27(24(31)26-22(15)29)21-12-19(28)20(32-21)13-25-23(30)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14,19-21,28H,2,12-13H2,1H3,(H,25,30)(H,26,29,31)/t19-,20+,21+/m0/s1
InChIKeyRJXFJSVDKNROFF-PWRODBHTSA-N
XLogP1.84
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide?
The IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide (CID 5275934) is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide?
The canonical SMILES for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide is CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide?
The InChIKey is RJXFJSVDKNROFF-PWRODBHTSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-2-15-14-27(24(31)26-22(15)29)21-12-19(28)20(32-21)13-25-23(30)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14,19-21,28H,2,12-13H2,1H3,(H,25,30)(H,26,29,31)/t19-,20+,21+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide?
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide has a molecular weight of 435.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide is sourced from PubChem (CID 5275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).