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

C32H38N2O10 — CID 10746297

About benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methylpyrrol-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-methylpyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate (PubChem CID 10746297) has the molecular formula C32H38N2O10 and a molecular weight of 610.66 g/mol. Its IUPAC name is benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methylpyrrol-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-methylpyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
• PubChem CID: 10746297
• Molecular Formula: C32H38N2O10
• Molecular Weight: 610.66 g/mol
• Exact Mass: 610.25
• IUPAC Name: benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methylpyrrol-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)N=C1
• InChI: InChI=1S/C32H38N2O10/c1-32(24(16-29(38)43-5)21(18-33-32)11-13-26(35)40-2)17-25-23(15-28(37)42-4)22(12-14-27(36)41-3)30(34-25)31(39)44-19-20-9-7-6-8-10-20/h6-10,18,34H,11-17,19H2,1-5H3
• InChIKey: RTDQVSKFQGHLCS-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 159.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.66
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
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-methylpyrrol-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-methylpyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate (CID 10746297) is benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methylpyrrol-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-methylpyrrol-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-methylpyrrol-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)N=C1.

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

The InChIKey is RTDQVSKFQGHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O10/c1-32(24(16-29(38)43-5)21(18-33-32)11-13-26(35)40-2)17-25-23(15-28(37)42-4)22(12-14-27(36)41-3)30(34-25)31(39)44-19-20-9-7-6-8-10-20/h6-10,18,34H,11-17,19H2,1-5H3.

What are the key properties of benzyl 4-(2-methoxy-2-oxoethyl)-5-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-2-methylpyrrol-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-methylpyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate has a molecular weight of 610.66 g/mol, XLogP of 3.39, 15 rotatable bonds, 1 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-methylpyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10746297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).