N-methoxyazocane-1-carboxamide

C9H18N2O2 — CID 130891205

IUPACN-methoxyazocane-1-carboxamide
SMILESCONC(=O)N1CCCCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-10-9(12)11-7-5-3-2-4-6-8-11/h2-8H2,1H3,(H,10,12)
InChIKeyUHYMQJOEGOATPT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.52
Rot. Bonds1

About N-methoxyazocane-1-carboxamide

N-methoxyazocane-1-carboxamide (PubChem CID 130891205) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-methoxyazocane-1-carboxamide.

Molecular Properties

Compound NameN-methoxyazocane-1-carboxamide
PubChem CID130891205
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-methoxyazocane-1-carboxamide
SMILESCONC(=O)N1CCCCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-10-9(12)11-7-5-3-2-4-6-8-11/h2-8H2,1H3,(H,10,12)
InChIKeyUHYMQJOEGOATPT-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methoxyazepane-1-carboxamide
CID 131177037
(piperidine-1-carbonylamino) cyclohexanecarboxylate
CID 174574902
4-ethenyl-N-methoxypiperidine-1-carboxamide
CID 127013276
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
methyl N-(azetidine-1-carbonylamino)carbamate
CID 130618918
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
CID 79162041
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008

Frequently Asked Questions

What is the IUPAC name of N-methoxyazocane-1-carboxamide?
The IUPAC name of N-methoxyazocane-1-carboxamide (CID 130891205) is N-methoxyazocane-1-carboxamide.
What is the SMILES notation for N-methoxyazocane-1-carboxamide?
The canonical SMILES for N-methoxyazocane-1-carboxamide is CONC(=O)N1CCCCCCC1.
What is the InChIKey of N-methoxyazocane-1-carboxamide?
The InChIKey is UHYMQJOEGOATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-10-9(12)11-7-5-3-2-4-6-8-11/h2-8H2,1H3,(H,10,12).
What are the key properties of N-methoxyazocane-1-carboxamide?
N-methoxyazocane-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyazocane-1-carboxamide is sourced from PubChem (CID 130891205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).