2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate

C30H41N5O6 — CID 129076593

About 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate

2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate (PubChem CID 129076593) has the molecular formula C30H41N5O6 and a molecular weight of 567.69 g/mol. Its IUPAC name is 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate
• PubChem CID: 129076593
• Molecular Formula: C30H41N5O6
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.31
• IUPAC Name: 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate
• SMILES: CN(CCNC(=O)OCCOCCNC(=O)c1ccc(N)cc1)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1
• InChI: InChI=1S/C30H41N5O6/c1-30(2,3)27(36)26-20-22-19-24(9-10-25(22)34-26)40-16-14-35(4)13-11-33-29(38)41-18-17-39-15-12-32-28(37)21-5-7-23(31)8-6-21/h5-10,19-20,34H,11-18,31H2,1-4H3,(H,32,37)(H,33,38)
• InChIKey: QGMZSKLNZODUFQ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 148.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate?

The IUPAC name of 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate (CID 129076593) is 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate.

What is the SMILES notation for 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate?

The canonical SMILES for 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate is CN(CCNC(=O)OCCOCCNC(=O)c1ccc(N)cc1)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.

What is the InChIKey of 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate?

The InChIKey is QGMZSKLNZODUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O6/c1-30(2,3)27(36)26-20-22-19-24(9-10-25(22)34-26)40-16-14-35(4)13-11-33-29(38)41-18-17-39-15-12-32-28(37)21-5-7-23(31)8-6-21/h5-10,19-20,34H,11-18,31H2,1-4H3,(H,32,37)(H,33,38).

What are the key properties of 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate?

2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate has a molecular weight of 567.69 g/mol, XLogP of 3.46, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-aminobenzoyl)amino]ethoxy]ethyl N-[2-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]ethyl]carbamate is sourced from PubChem (CID 129076593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).