2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide

C30H32N6O4 — CID 11800592

IUPAC2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide
SMILESNCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChIInChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
InChIKeyDGISRQRHSYAYQM-UHFFFAOYSA-N
MW540.62 g/mol
LogP3.69
Rot. Bonds12

About 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide

2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide (PubChem CID 11800592) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide
PubChem CID11800592
Molecular FormulaC30H32N6O4
Molecular Weight540.62 g/mol
Exact Mass540.25
IUPAC Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide
SMILESNCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChIInChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
InChIKeyDGISRQRHSYAYQM-UHFFFAOYSA-N
XLogP3.69
TPSA160.28 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 53.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide (CID 11800592) is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide is NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12.
What is the InChIKey of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide?
The InChIKey is DGISRQRHSYAYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38).
What are the key properties of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide?
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide has a molecular weight of 540.62 g/mol, XLogP of 3.69, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 11800592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).