11-methyl-N-oxidododecanamide

C13H26NO2- — CID 71301385

IUPAC11-methyl-N-oxidododecanamide
SMILESCC(C)CCCCCCCCCC(=O)N[O-]
InChIInChI=1S/C13H26NO2/c1-12(2)10-8-6-4-3-5-7-9-11-13(15)14-16/h12H,3-11H2,1-2H3,(H-,14,15,16)/q-1
InChIKeyZSIMVEHLLOFSSZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.77
Rot. Bonds10

About 11-methyl-N-oxidododecanamide

11-methyl-N-oxidododecanamide (PubChem CID 71301385) has the molecular formula C13H26NO2- and a molecular weight of 228.36 g/mol. Its IUPAC name is 11-methyl-N-oxidododecanamide.

Molecular Properties

Compound Name11-methyl-N-oxidododecanamide
PubChem CID71301385
Molecular FormulaC13H26NO2-
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Name11-methyl-N-oxidododecanamide
SMILESCC(C)CCCCCCCCCC(=O)N[O-]
InChIInChI=1S/C13H26NO2/c1-12(2)10-8-6-4-3-5-7-9-11-13(15)14-16/h12H,3-11H2,1-2H3,(H-,14,15,16)/q-1
InChIKeyZSIMVEHLLOFSSZ-UHFFFAOYSA-N
XLogP3.77
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-oxidooctanamide
CID 56842822
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
CID 57354386
CID 57354386
N-methoxy-7-methyloctanamide
CID 174552254
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
2-(7-methyloctanoylamino)acetic acid
CID 21289225
sodium 13-methyltetradecanoate
CID 44515571
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
calcium bis(16-methylheptadecanoate)
CID 6453880
12-methyltridec-2-en-4-one
CID 123882041
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-oxidododecanamide?
The IUPAC name of 11-methyl-N-oxidododecanamide (CID 71301385) is 11-methyl-N-oxidododecanamide.
What is the SMILES notation for 11-methyl-N-oxidododecanamide?
The canonical SMILES for 11-methyl-N-oxidododecanamide is CC(C)CCCCCCCCCC(=O)N[O-].
What is the InChIKey of 11-methyl-N-oxidododecanamide?
The InChIKey is ZSIMVEHLLOFSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO2/c1-12(2)10-8-6-4-3-5-7-9-11-13(15)14-16/h12H,3-11H2,1-2H3,(H-,14,15,16)/q-1.
What are the key properties of 11-methyl-N-oxidododecanamide?
11-methyl-N-oxidododecanamide has a molecular weight of 228.36 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-oxidododecanamide is sourced from PubChem (CID 71301385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).