2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C21H23N3O — CID 26551169

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O/c25-21(15-24-12-10-16-5-1-2-6-18(16)14-24)22-11-9-17-13-23-20-8-4-3-7-19(17)20/h1-8,13,23H,9-12,14-15H2,(H,22,25)
InChIKeyBCCNXAZBYBBIGC-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.88
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 26551169) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID26551169
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O/c25-21(15-24-12-10-16-5-1-2-6-18(16)14-24)22-11-9-17-13-23-20-8-4-3-7-19(17)20/h1-8,13,23H,9-12,14-15H2,(H,22,25)
InChIKeyBCCNXAZBYBBIGC-UHFFFAOYSA-N
XLogP2.88
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)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

Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8786824
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8993451
N-[2-(1H-indol-3-yl)ethyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42397929
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 46261613
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064179
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]methanone
CID 109191971

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 26551169) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN1CCc2ccccc2C1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is BCCNXAZBYBBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(15-24-12-10-16-5-1-2-6-18(16)14-24)22-11-9-17-13-23-20-8-4-3-7-19(17)20/h1-8,13,23H,9-12,14-15H2,(H,22,25).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 26551169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).