N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide

C19H23N3O7 — CID 175500160

IUPACN-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(N(C=O)CCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O7/c1-28-16-15(25)14(10-23)29-18(16)22-9-13(17(26)20-19(22)27)21(11-24)8-7-12-5-3-2-4-6-12/h2-6,9,11,14-16,18,23,25H,7-8,10H2,1H3,(H,20,26,27)/t14-,15+,16-,18-/m1/s1
InChIKeyUDVAPGYFGQURQW-KYHPRHEASA-N
MW405.41 g/mol
LogP-0.99
Rot. Bonds8

About N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide

N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide (PubChem CID 175500160) has the molecular formula C19H23N3O7 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide
PubChem CID175500160
Molecular FormulaC19H23N3O7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC NameN-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide
SMILESCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(N(C=O)CCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O7/c1-28-16-15(25)14(10-23)29-18(16)22-9-13(17(26)20-19(22)27)21(11-24)8-7-12-5-3-2-4-6-12/h2-6,9,11,14-16,18,23,25H,7-8,10H2,1H3,(H,20,26,27)/t14-,15+,16-,18-/m1/s1
InChIKeyUDVAPGYFGQURQW-KYHPRHEASA-N
XLogP-0.99
TPSA134.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide?
The IUPAC name of N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide (CID 175500160) is N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide is CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(N(C=O)CCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide?
The InChIKey is UDVAPGYFGQURQW-KYHPRHEASA-N. The full InChI is InChI=1S/C19H23N3O7/c1-28-16-15(25)14(10-23)29-18(16)22-9-13(17(26)20-19(22)27)21(11-24)8-7-12-5-3-2-4-6-12/h2-6,9,11,14-16,18,23,25H,7-8,10H2,1H3,(H,20,26,27)/t14-,15+,16-,18-/m1/s1.
What are the key properties of N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide?
N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide has a molecular weight of 405.41 g/mol, XLogP of -0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-(2-phenylethyl)formamide is sourced from PubChem (CID 175500160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).