2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide

C24H29N5O3 — CID 11797158

IUPAC2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide
SMILESNCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
InChIInChI=1S/C24H29N5O3/c25-7-5-16-13-28-22-3-1-18(11-20(16)22)31-10-9-27-24(30)15-32-19-2-4-23-21(12-19)17(6-8-26)14-29-23/h1-4,11-14,28-29H,5-10,15,25-26H2,(H,27,30)
InChIKeyRMBLRCQXPCPHMK-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.23
Rot. Bonds11

About 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide

2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide (PubChem CID 11797158) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide
PubChem CID11797158
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide
SMILESNCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
InChIInChI=1S/C24H29N5O3/c25-7-5-16-13-28-22-3-1-18(11-20(16)22)31-10-9-27-24(30)15-32-19-2-4-23-21(12-19)17(6-8-26)14-29-23/h1-4,11-14,28-29H,5-10,15,25-26H2,(H,27,30)
InChIKeyRMBLRCQXPCPHMK-UHFFFAOYSA-N
XLogP2.23
TPSA131.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide?
The IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide (CID 11797158) is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide.
What is the SMILES notation for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide?
The canonical SMILES for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide is NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12.
What is the InChIKey of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide?
The InChIKey is RMBLRCQXPCPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c25-7-5-16-13-28-22-3-1-18(11-20(16)22)31-10-9-27-24(30)15-32-19-2-4-23-21(12-19)17(6-8-26)14-29-23/h1-4,11-14,28-29H,5-10,15,25-26H2,(H,27,30).
What are the key properties of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide?
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.23, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 11797158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).