N-methyl-N-nitrosooctanamide

C9H18N2O2 — CID 27396

IUPACN-methyl-N-nitrosooctanamide
SMILESCCCCCCCC(=O)N(C)N=O
InChIInChI=1S/C9H18N2O2/c1-3-4-5-6-7-8-9(12)11(2)10-13/h3-8H2,1-2H3
InChIKeySLXKPMUHNAWWSF-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.49
Rot. Bonds7

About N-methyl-N-nitrosooctanamide

N-methyl-N-nitrosooctanamide (PubChem CID 27396) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-methyl-N-nitrosooctanamide.

Molecular Properties

Compound NameN-methyl-N-nitrosooctanamide
PubChem CID27396
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-methyl-N-nitrosooctanamide
SMILESCCCCCCCC(=O)N(C)N=O
InChIInChI=1S/C9H18N2O2/c1-3-4-5-6-7-8-9(12)11(2)10-13/h3-8H2,1-2H3
InChIKeySLXKPMUHNAWWSF-UHFFFAOYSA-N
XLogP2.49
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N-amino-N-nitrosopentanamide
CID 172967677
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N-acetyl-N-methyltetradecanamide
CID 54508567
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-nitrosooctanamide?
The IUPAC name of N-methyl-N-nitrosooctanamide (CID 27396) is N-methyl-N-nitrosooctanamide.
What is the SMILES notation for N-methyl-N-nitrosooctanamide?
The canonical SMILES for N-methyl-N-nitrosooctanamide is CCCCCCCC(=O)N(C)N=O.
What is the InChIKey of N-methyl-N-nitrosooctanamide?
The InChIKey is SLXKPMUHNAWWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-5-6-7-8-9(12)11(2)10-13/h3-8H2,1-2H3.
What are the key properties of N-methyl-N-nitrosooctanamide?
N-methyl-N-nitrosooctanamide has a molecular weight of 186.25 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-nitrosooctanamide is sourced from PubChem (CID 27396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).