N-methoxy-7-methyloctanamide

C10H21NO2 — CID 174552254

IUPACN-methoxy-7-methyloctanamide
SMILESCONC(=O)CCCCCC(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)7-5-4-6-8-10(12)11-13-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyNEGWYMYCXNWLCD-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.27
Rot. Bonds7

About N-methoxy-7-methyloctanamide

N-methoxy-7-methyloctanamide (PubChem CID 174552254) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-methoxy-7-methyloctanamide.

Molecular Properties

Compound NameN-methoxy-7-methyloctanamide
PubChem CID174552254
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-methoxy-7-methyloctanamide
SMILESCONC(=O)CCCCCC(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)7-5-4-6-8-10(12)11-13-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyNEGWYMYCXNWLCD-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.27
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

methyl 21-methyldocosanoate
CID 14178788
(hexadecanoylamino) 6-methylheptanoate
CID 88510507
CID 57354386
CID 57354386
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
7-methyl-N-oxidooctanamide
CID 56842822
11-methyl-N-oxidododecanamide
CID 71301385
[11-(methoxyamino)-11-oxoundec-1-en-3-yl] acetate
CID 134963865
N-methoxy-9-oxononanamide
CID 144851599
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
methoxymethane;16-methylheptadecanoic acid
CID 175921970
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
methyl 8-methyl-2-methylidenenonanoate
CID 141066722

Frequently Asked Questions

What is the IUPAC name of N-methoxy-7-methyloctanamide?
The IUPAC name of N-methoxy-7-methyloctanamide (CID 174552254) is N-methoxy-7-methyloctanamide.
What is the SMILES notation for N-methoxy-7-methyloctanamide?
The canonical SMILES for N-methoxy-7-methyloctanamide is CONC(=O)CCCCCC(C)C.
What is the InChIKey of N-methoxy-7-methyloctanamide?
The InChIKey is NEGWYMYCXNWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)7-5-4-6-8-10(12)11-13-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-methoxy-7-methyloctanamide?
N-methoxy-7-methyloctanamide has a molecular weight of 187.28 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-7-methyloctanamide is sourced from PubChem (CID 174552254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).