N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide

C18H21N3O5 — CID 5272852

IUPACN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H21N3O5/c1-11-10-21(18(25)20-17(11)24)16-8-13(22)14(26-16)9-19-15(23)7-12-5-3-2-4-6-12/h2-6,10,13-14,16,22H,7-9H2,1H3,(H,19,23)(H,20,24,25)/t13-,14+,16+/m0/s1
InChIKeyDNXGOSBZVGJHCN-SQWLQELKSA-N
MW359.38 g/mol
LogP-0.15
Rot. Bonds5

About N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide

N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide (PubChem CID 5272852) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide
PubChem CID5272852
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H21N3O5/c1-11-10-21(18(25)20-17(11)24)16-8-13(22)14(26-16)9-19-15(23)7-12-5-3-2-4-6-12/h2-6,10,13-14,16,22H,7-9H2,1H3,(H,19,23)(H,20,24,25)/t13-,14+,16+/m0/s1
InChIKeyDNXGOSBZVGJHCN-SQWLQELKSA-N
XLogP-0.15
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.15
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)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide (CID 5272852) is N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide is Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide?
The InChIKey is DNXGOSBZVGJHCN-SQWLQELKSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-11-10-21(18(25)20-17(11)24)16-8-13(22)14(26-16)9-19-15(23)7-12-5-3-2-4-6-12/h2-6,10,13-14,16,22H,7-9H2,1H3,(H,19,23)(H,20,24,25)/t13-,14+,16+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide?
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide has a molecular weight of 359.38 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 5272852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).