cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide

C22H34N2O2 — CID 145244108

IUPACcyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide
SMILESC1CCCCC1.CNC(=O)C1CCCC1.COc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO.C7H13NO.C6H12/c1-11-8-2-3-9-7(6-8)4-5-10-9;1-8-7(9)6-4-2-3-5-6;1-2-4-6-5-3-1/h2-6,10H,1H3;6H,2-5H2,1H3,(H,8,9);1-6H2
InChIKeyXRVSPDCNTODNSY-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.44
Rot. Bonds2

About cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide

cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide (PubChem CID 145244108) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide.

Molecular Properties

Compound Namecyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide
PubChem CID145244108
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Namecyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide
SMILESC1CCCCC1.CNC(=O)C1CCCC1.COc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO.C7H13NO.C6H12/c1-11-8-2-3-9-7(6-8)4-5-10-9;1-8-7(9)6-4-2-3-5-6;1-2-4-6-5-3-1/h2-6,10H,1H3;6H,2-5H2,1H3,(H,8,9);1-6H2
InChIKeyXRVSPDCNTODNSY-UHFFFAOYSA-N
XLogP5.44
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide?
The IUPAC name of cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide (CID 145244108) is cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide.
What is the SMILES notation for cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide?
The canonical SMILES for cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide is C1CCCCC1.CNC(=O)C1CCCC1.COc1ccc2[nH]ccc2c1.
What is the InChIKey of cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide?
The InChIKey is XRVSPDCNTODNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C7H13NO.C6H12/c1-11-8-2-3-9-7(6-8)4-5-10-9;1-8-7(9)6-4-2-3-5-6;1-2-4-6-5-3-1/h2-6,10H,1H3;6H,2-5H2,1H3,(H,8,9);1-6H2.
What are the key properties of cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide?
cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide has a molecular weight of 358.53 g/mol, XLogP of 5.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;5-methoxy-1H-indole;N-methylcyclopentanecarboxamide is sourced from PubChem (CID 145244108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).