3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide

C20H20N2O3 — CID 84580618

IUPAC3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC2Cc3[nH]c4ccccc4c3C2)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-18-8-7-12(9-19(18)25-2)20(23)21-13-10-15-14-5-3-4-6-16(14)22-17(15)11-13/h3-9,13,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyFEHASMKMNKFUFJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.08
Rot. Bonds4

About 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide

3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (PubChem CID 84580618) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
PubChem CID84580618
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC2Cc3[nH]c4ccccc4c3C2)cc1OC
InChIInChI=1S/C20H20N2O3/c1-24-18-8-7-12(9-19(18)25-2)20(23)21-13-10-15-14-5-3-4-6-16(14)22-17(15)11-13/h3-9,13,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyFEHASMKMNKFUFJ-UHFFFAOYSA-N
XLogP3.08
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84582066
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 142183119
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
(3S,5R)-5-[(3,4-dimethoxybenzoyl)amino]piperidine-3-carboxylic acid
CID 141160918
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
CID 84579141

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide (CID 84580618) is 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is COc1ccc(C(=O)NC2Cc3[nH]c4ccccc4c3C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
The InChIKey is FEHASMKMNKFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-18-8-7-12(9-19(18)25-2)20(23)21-13-10-15-14-5-3-4-6-16(14)22-17(15)11-13/h3-9,13,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide?
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide is sourced from PubChem (CID 84580618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).