N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide

C24H39F2N3O5 — CID 164887522

IUPACN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C24H39F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(31)27-19-15-16-29(23(33)28-19)22-24(25,26)21(32)18(17-30)34-22/h15-16,18,21-22,30,32H,2-14,17H2,1H3,(H,27,28,31,33)/t18-,21-,22-/m1/s1
InChIKeyLOMJAVWRNQEMKZ-STZQEDGTSA-N
MW487.59 g/mol
LogP4.16
Rot. Bonds16

About N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide

N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide (PubChem CID 164887522) has the molecular formula C24H39F2N3O5 and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide.

Molecular Properties

Compound NameN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide
PubChem CID164887522
Molecular FormulaC24H39F2N3O5
Molecular Weight487.59 g/mol
Exact Mass487.29
IUPAC NameN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C24H39F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(31)27-19-15-16-29(23(33)28-19)22-24(25,26)21(32)18(17-30)34-22/h15-16,18,21-22,30,32H,2-14,17H2,1H3,(H,27,28,31,33)/t18-,21-,22-/m1/s1
InChIKeyLOMJAVWRNQEMKZ-STZQEDGTSA-N
XLogP4.16
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide?
The IUPAC name of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide (CID 164887522) is N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide.
What is the SMILES notation for N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide?
The canonical SMILES for N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide is CCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.
What is the InChIKey of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide?
The InChIKey is LOMJAVWRNQEMKZ-STZQEDGTSA-N. The full InChI is InChI=1S/C24H39F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(31)27-19-15-16-29(23(33)28-19)22-24(25,26)21(32)18(17-30)34-22/h15-16,18,21-22,30,32H,2-14,17H2,1H3,(H,27,28,31,33)/t18-,21-,22-/m1/s1.
What are the key properties of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide?
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide has a molecular weight of 487.59 g/mol, XLogP of 4.16, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentadecanamide is sourced from PubChem (CID 164887522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).