[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate

C27H31N5O2 — CID 123579665

IUPAC[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate
SMILESCCNCCc1c[nH]c2ccc(OC(=O)NCNc3c4c(nc5ccccc35)CCCC4)cc12
InChIInChI=1S/C27H31N5O2/c1-2-28-14-13-18-16-29-23-12-11-19(15-22(18)23)34-27(33)31-17-30-26-20-7-3-5-9-24(20)32-25-10-6-4-8-21(25)26/h3,5,7,9,11-12,15-16,28-29H,2,4,6,8,10,13-14,17H2,1H3,(H,30,32)(H,31,33)
InChIKeyZLVNSKHMYXPDDS-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.90
Rot. Bonds8

About [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate

[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate (PubChem CID 123579665) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate.

Molecular Properties

Compound Name[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate
PubChem CID123579665
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate
SMILESCCNCCc1c[nH]c2ccc(OC(=O)NCNc3c4c(nc5ccccc35)CCCC4)cc12
InChIInChI=1S/C27H31N5O2/c1-2-28-14-13-18-16-29-23-12-11-19(15-22(18)23)34-27(33)31-17-30-26-20-7-3-5-9-24(20)32-25-10-6-4-8-21(25)26/h3,5,7,9,11-12,15-16,28-29H,2,4,6,8,10,13-14,17H2,1H3,(H,30,32)(H,31,33)
InChIKeyZLVNSKHMYXPDDS-UHFFFAOYSA-N
XLogP4.90
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate 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

[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate
CID 90654207
1H-indol-6-yl N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]carbamate
CID 177380795
(2S)-2-amino-3-(1H-indol-3-yl)-N-[8-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]propanamide
CID 155562267
[7-[3-(2-acetamidoethyl)-1H-indol-5-yl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl] carbamate
CID 71077990
[3-(2-acetamidoethyl)-1H-indol-5-yl] 3-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]tetradecanoate
CID 157313014
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]propanamide
CID 118717434
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]carbamate
CID 177380783
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-4-(1H-indol-3-yl)butanamide
CID 11432076
ethyl 2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]pyrimidine-5-carboxylate
CID 155666121

Frequently Asked Questions

What is the IUPAC name of [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate?
The IUPAC name of [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate (CID 123579665) is [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate.
What is the SMILES notation for [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate?
The canonical SMILES for [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate is CCNCCc1c[nH]c2ccc(OC(=O)NCNc3c4c(nc5ccccc35)CCCC4)cc12.
What is the InChIKey of [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate?
The InChIKey is ZLVNSKHMYXPDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-2-28-14-13-18-16-29-23-12-11-19(15-22(18)23)34-27(33)31-17-30-26-20-7-3-5-9-24(20)32-25-10-6-4-8-21(25)26/h3,5,7,9,11-12,15-16,28-29H,2,4,6,8,10,13-14,17H2,1H3,(H,30,32)(H,31,33).
What are the key properties of [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate?
[3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate has a molecular weight of 457.58 g/mol, XLogP of 4.90, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(ethylamino)ethyl]-1H-indol-5-yl] N-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]carbamate is sourced from PubChem (CID 123579665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).