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

C34H39N7O4 — CID 10008868

IUPAC2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide
SMILESNCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)cc3)cc12
InChIInChI=1S/C34H39N7O4/c35-11-9-23-19-37-31-7-5-27(17-29(23)31)44-21-33(42)39-25-1-3-26(4-2-25)40-13-15-41(16-14-40)34(43)22-45-28-6-8-32-30(18-28)24(10-12-36)20-38-32/h1-8,17-20,37-38H,9-16,21-22,35-36H2,(H,39,42)
InChIKeyLYNZLARMPRESRP-UHFFFAOYSA-N
MW609.73 g/mol
LogP3.40
Rot. Bonds12

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

2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10008868) has the molecular formula C34H39N7O4 and a molecular weight of 609.73 g/mol. Its IUPAC name is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10008868
Molecular FormulaC34H39N7O4
Molecular Weight609.73 g/mol
Exact Mass609.31
IUPAC Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide
SMILESNCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)cc3)cc12
InChIInChI=1S/C34H39N7O4/c35-11-9-23-19-37-31-7-5-27(17-29(23)31)44-21-33(42)39-25-1-3-26(4-2-25)40-13-15-41(16-14-40)34(43)22-45-28-6-8-32-30(18-28)24(10-12-36)20-38-32/h1-8,17-20,37-38H,9-16,21-22,35-36H2,(H,39,42)
InChIKeyLYNZLARMPRESRP-UHFFFAOYSA-N
XLogP3.40
TPSA154.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.73
LogP ≤ 53.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

Donitriptan
CID 197706
Piromelatine
CID 24815904
N-Acetyl-5-benzyloxytryptamine
CID 563605
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11569290
GR 128107
CID 44208891
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)acetamide
CID 10126724
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-1,3-benzoxazol-2(3H)-one
CID 23647547
4-Indolylamino-5-phenyl-3-pyridinecarbonitrile, 12e
CID 24865618
5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
CID 44129621

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide (CID 10008868) is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide is NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(N4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)cc3)cc12.
What is the InChIKey of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is LYNZLARMPRESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O4/c35-11-9-23-19-37-31-7-5-27(17-29(23)31)44-21-33(42)39-25-1-3-26(4-2-25)40-13-15-41(16-14-40)34(43)22-45-28-6-8-32-30(18-28)24(10-12-36)20-38-32/h1-8,17-20,37-38H,9-16,21-22,35-36H2,(H,39,42).
What are the key properties of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide?
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 609.73 g/mol, XLogP of 3.40, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10008868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).