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

C19H24N2O2 — CID 84580174

IUPACN-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)C1CCCCC1)C3
InChIInChI=1S/C19H24N2O2/c1-23-14-7-8-17-16(11-14)15-9-13(10-18(15)21-17)20-19(22)12-5-3-2-4-6-12/h7-8,11-13,21H,2-6,9-10H2,1H3,(H,20,22)
InChIKeyLDSGLLKPEHLTBX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.34
Rot. Bonds3

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

N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide (PubChem CID 84580174) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
PubChem CID84580174
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)C1CCCCC1)C3
InChIInChI=1S/C19H24N2O2/c1-23-14-7-8-17-16(11-14)15-9-13(10-18(15)21-17)20-19(22)12-5-3-2-4-6-12/h7-8,11-13,21H,2-6,9-10H2,1H3,(H,20,22)
InChIKeyLDSGLLKPEHLTBX-UHFFFAOYSA-N
XLogP3.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
CID 84579141
2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 91352168
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612967
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide (CID 84580174) is N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide is COc1ccc2[nH]c3c(c2c1)CC(NC(=O)C1CCCCC1)C3.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide?
The InChIKey is LDSGLLKPEHLTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-14-7-8-17-16(11-14)15-9-13(10-18(15)21-17)20-19(22)12-5-3-2-4-6-12/h7-8,11-13,21H,2-6,9-10H2,1H3,(H,20,22).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide?
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 84580174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).