[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate

C34H43N5O3 — CID 90654209

IUPAC[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate
SMILESCC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12
InChIInChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)
InChIKeyHYWHYYQDFBRNJV-UHFFFAOYSA-N
MW569.75 g/mol
LogP6.81
Rot. Bonds14

About [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate

[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate (PubChem CID 90654209) has the molecular formula C34H43N5O3 and a molecular weight of 569.75 g/mol. Its IUPAC name is [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate.

Molecular Properties

Compound Name[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate
PubChem CID90654209
Molecular FormulaC34H43N5O3
Molecular Weight569.75 g/mol
Exact Mass569.34
IUPAC Name[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate
SMILESCC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12
InChIInChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)
InChIKeyHYWHYYQDFBRNJV-UHFFFAOYSA-N
XLogP6.81
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 56.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate?
The IUPAC name of [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate (CID 90654209) is [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate.
What is the SMILES notation for [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate?
The canonical SMILES for [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate is CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12.
What is the InChIKey of [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate?
The InChIKey is HYWHYYQDFBRNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41).
What are the key properties of [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate?
[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate has a molecular weight of 569.75 g/mol, XLogP of 6.81, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-acetamidoethyl)-1H-indol-5-yl] N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]carbamate is sourced from PubChem (CID 90654209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).