N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide

C41H46N4O8 — CID 154934326

About N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide

N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 154934326) has the molecular formula C41H46N4O8 and a molecular weight of 722.84 g/mol. Its IUPAC name is N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide
• PubChem CID: 154934326
• Molecular Formula: C41H46N4O8
• Molecular Weight: 722.84 g/mol
• Exact Mass: 722.33
• IUPAC Name: N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide
• SMILES: COc1cc(C)c(NC=O)cc1OCc1cc(COc2cc(NC(=O)C3Cc4ccccc4N3C)c(C=O)cc2OC)cc(N(C)CCCC(C)=O)c1
• InChI: InChI=1S/C41H46N4O8/c1-26-14-37(50-5)39(20-33(26)42-25-47)52-23-28-15-29(17-32(16-28)44(3)13-9-10-27(2)48)24-53-40-21-34(31(22-46)19-38(40)51-6)43-41(49)36-18-30-11-7-8-12-35(30)45(36)4/h7-8,11-12,14-17,19-22,25,36H,9-10,13,18,23-24H2,1-6H3,(H,42,47)(H,43,49)
• InChIKey: PGAQMPSYDYLCHW-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 135.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.84
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide?

The IUPAC name of N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide (CID 154934326) is N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide.

What is the SMILES notation for N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide?

The canonical SMILES for N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide is COc1cc(C)c(NC=O)cc1OCc1cc(COc2cc(NC(=O)C3Cc4ccccc4N3C)c(C=O)cc2OC)cc(N(C)CCCC(C)=O)c1.

What is the InChIKey of N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide?

The InChIKey is PGAQMPSYDYLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N4O8/c1-26-14-37(50-5)39(20-33(26)42-25-47)52-23-28-15-29(17-32(16-28)44(3)13-9-10-27(2)48)24-53-40-21-34(31(22-46)19-38(40)51-6)43-41(49)36-18-30-11-7-8-12-35(30)45(36)4/h7-8,11-12,14-17,19-22,25,36H,9-10,13,18,23-24H2,1-6H3,(H,42,47)(H,43,49).

What are the key properties of N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide?

N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 722.84 g/mol, XLogP of 6.36, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 154934326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).