7-methyl-N-oxidooctanamide

C9H18NO2- — CID 56842822

IUPAC7-methyl-N-oxidooctanamide
SMILESCC(C)CCCCCC(=O)N[O-]
InChIInChI=1S/C9H18NO2/c1-8(2)6-4-3-5-7-9(11)10-12/h8H,3-7H2,1-2H3,(H-,10,11,12)/q-1
InChIKeyFIUUVEIQXBHNBL-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.21
Rot. Bonds6

About 7-methyl-N-oxidooctanamide

7-methyl-N-oxidooctanamide (PubChem CID 56842822) has the molecular formula C9H18NO2- and a molecular weight of 172.25 g/mol. Its IUPAC name is 7-methyl-N-oxidooctanamide.

Molecular Properties

Compound Name7-methyl-N-oxidooctanamide
PubChem CID56842822
Molecular FormulaC9H18NO2-
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name7-methyl-N-oxidooctanamide
SMILESCC(C)CCCCCC(=O)N[O-]
InChIInChI=1S/C9H18NO2/c1-8(2)6-4-3-5-7-9(11)10-12/h8H,3-7H2,1-2H3,(H-,10,11,12)/q-1
InChIKeyFIUUVEIQXBHNBL-UHFFFAOYSA-N
XLogP2.21
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.21
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

11-methyl-N-oxidododecanamide
CID 71301385
CID 57354386
CID 57354386
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
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 7-methyl-N-oxidooctanamide?
The IUPAC name of 7-methyl-N-oxidooctanamide (CID 56842822) is 7-methyl-N-oxidooctanamide.
What is the SMILES notation for 7-methyl-N-oxidooctanamide?
The canonical SMILES for 7-methyl-N-oxidooctanamide is CC(C)CCCCCC(=O)N[O-].
What is the InChIKey of 7-methyl-N-oxidooctanamide?
The InChIKey is FIUUVEIQXBHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2/c1-8(2)6-4-3-5-7-9(11)10-12/h8H,3-7H2,1-2H3,(H-,10,11,12)/q-1.
What are the key properties of 7-methyl-N-oxidooctanamide?
7-methyl-N-oxidooctanamide has a molecular weight of 172.25 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-oxidooctanamide is sourced from PubChem (CID 56842822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).