N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide

C17H16N2O3 — CID 84579141

IUPACN-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccco1)C3
InChIInChI=1S/C17H16N2O3/c1-21-11-4-5-14-13(9-11)12-7-10(8-15(12)19-14)18-17(20)16-3-2-6-22-16/h2-6,9-10,19H,7-8H2,1H3,(H,18,20)
InChIKeyGBVGXVVRJBCLFZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.67
Rot. Bonds3

About N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide

N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide (PubChem CID 84579141) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
PubChem CID84579141
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccco1)C3
InChIInChI=1S/C17H16N2O3/c1-21-11-4-5-14-13(9-11)12-7-10(8-15(12)19-14)18-17(20)16-3-2-6-22-16/h2-6,9-10,19H,7-8H2,1H3,(H,18,20)
InChIKeyGBVGXVVRJBCLFZ-UHFFFAOYSA-N
XLogP2.67
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.67
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

N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
CID 84580174
2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097229
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097125
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide (CID 84579141) is N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide is COc1ccc2[nH]c3c(c2c1)CC(NC(=O)c1ccco1)C3.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide?
The InChIKey is GBVGXVVRJBCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-11-4-5-14-13(9-11)12-7-10(8-15(12)19-14)18-17(20)16-3-2-6-22-16/h2-6,9-10,19H,7-8H2,1H3,(H,18,20).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide?
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 84579141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).