benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate

C32H38N2O11 — CID 10461612

About benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate

benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate (PubChem CID 10461612) has the molecular formula C32H38N2O11 and a molecular weight of 626.66 g/mol. Its IUPAC name is benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
• PubChem CID: 10461612
• Molecular Formula: C32H38N2O11
• Molecular Weight: 626.66 g/mol
• Exact Mass: 626.25
• IUPAC Name: benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
• SMILES: COC(=O)CCC1=C(CC(=O)OC)C(C)(Cc2[nH]c(C(=O)OCc3ccccc3)c(CCC(=O)OC)c2CC(=O)OC)NC1=O
• InChI: InChI=1S/C32H38N2O11/c1-32(23(16-28(38)44-5)21(30(39)34-32)12-14-26(36)42-3)17-24-22(15-27(37)43-4)20(11-13-25(35)41-2)29(33-24)31(40)45-18-19-9-7-6-8-10-19/h6-10,33H,11-18H2,1-5H3,(H,34,39)
• InChIKey: PLZSMFQGMCXNPR-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 176.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.66
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate?

The IUPAC name of benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate (CID 10461612) is benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate.

What is the SMILES notation for benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate?

The canonical SMILES for benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate is COC(=O)CCC1=C(CC(=O)OC)C(C)(Cc2[nH]c(C(=O)OCc3ccccc3)c(CCC(=O)OC)c2CC(=O)OC)NC1=O.

What is the InChIKey of benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate?

The InChIKey is PLZSMFQGMCXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O11/c1-32(23(16-28(38)44-5)21(30(39)34-32)12-14-26(36)42-3)17-24-22(15-27(37)43-4)20(11-13-25(35)41-2)29(33-24)31(40)45-18-19-9-7-6-8-10-19/h6-10,33H,11-18H2,1-5H3,(H,34,39).

What are the key properties of benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate?

benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate has a molecular weight of 626.66 g/mol, XLogP of 2.44, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).