N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide

C24H20N2O2 — CID 27644530

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c1ccc1ccccc12
InChIInChI=1S/C24H20N2O2/c1-15-18-11-10-16-6-2-3-8-20(16)23(18)28-22(15)24(27)25-13-12-17-14-26-21-9-5-4-7-19(17)21/h2-11,14,26H,12-13H2,1H3,(H,25,27)
InChIKeyYZVDIGSJEJUEQK-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.35
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 27644530) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID27644530
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c1ccc1ccccc12
InChIInChI=1S/C24H20N2O2/c1-15-18-11-10-16-6-2-3-8-20(16)23(18)28-22(15)24(27)25-13-12-17-14-26-21-9-5-4-7-19(17)21/h2-11,14,26H,12-13H2,1H3,(H,25,27)
InChIKeyYZVDIGSJEJUEQK-UHFFFAOYSA-N
XLogP5.35
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4837681
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 27644530) is N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c1ccc1ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is YZVDIGSJEJUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-15-18-11-10-16-6-2-3-8-20(16)23(18)28-22(15)24(27)25-13-12-17-14-26-21-9-5-4-7-19(17)21/h2-11,14,26H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 27644530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).