N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C34H32N4O7 — CID 102293477

About N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 102293477) has the molecular formula C34H32N4O7 and a molecular weight of 608.65 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• PubChem CID: 102293477
• Molecular Formula: C34H32N4O7
• Molecular Weight: 608.65 g/mol
• Exact Mass: 608.23
• IUPAC Name: N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• SMILES: CC(=O)Nc1ccn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2CN2C(=O)c3ccccc3C2=O)c(=O)n1
• InChI: InChI=1S/C34H32N4O7/c1-22(39)35-29-16-17-37(34(42)36-29)33-27(18-38-31(40)25-14-8-9-15-26(25)32(38)41)30(44-20-24-12-6-3-7-13-24)28(45-33)21-43-19-23-10-4-2-5-11-23/h2-17,27-28,30,33H,18-21H2,1H3,(H,35,36,39,42)/t27-,28-,30+,33-/m1/s1
• InChIKey: NIIRRUOPCIPIAT-DYCOZPQISA-N
• XLogP: 3.81
• TPSA: 129.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.65
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The IUPAC name of N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 102293477) is N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The canonical SMILES for N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2CN2C(=O)c3ccccc3C2=O)c(=O)n1.

What is the InChIKey of N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The InChIKey is NIIRRUOPCIPIAT-DYCOZPQISA-N. The full InChI is InChI=1S/C34H32N4O7/c1-22(39)35-29-16-17-37(34(42)36-29)33-27(18-38-31(40)25-14-8-9-15-26(25)32(38)41)30(44-20-24-12-6-3-7-13-24)28(45-33)21-43-19-23-10-4-2-5-11-23/h2-17,27-28,30,33H,18-21H2,1H3,(H,35,36,39,42)/t27-,28-,30+,33-/m1/s1.

What are the key properties of N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 608.65 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,3R,4S,5R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 102293477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).