2-butyl-2-methyl-N-(oxetan-3-yl)octanamide

C16H31NO2 — CID 166929459

IUPAC2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
SMILESCCCCCCC(C)(CCCC)C(=O)NC1COC1
InChIInChI=1S/C16H31NO2/c1-4-6-8-9-11-16(3,10-7-5-2)15(18)17-14-12-19-13-14/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyYMXJCIIWONFGCI-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds10

About 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide

2-butyl-2-methyl-N-(oxetan-3-yl)octanamide (PubChem CID 166929459) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide.

Molecular Properties

Compound Name2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
PubChem CID166929459
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
SMILESCCCCCCC(C)(CCCC)C(=O)NC1COC1
InChIInChI=1S/C16H31NO2/c1-4-6-8-9-11-16(3,10-7-5-2)15(18)17-14-12-19-13-14/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyYMXJCIIWONFGCI-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-N-hydroxy-2-methyloctanamide
CID 170033401
2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
CID 129033928
2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
CID 114900288
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 69258159
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
2-decyl-2-methylicosanoic acid
CID 174997379
2-decyl-2-methyltetradecanoic acid
CID 611890
2-hexyl-2-methyldecanoic acid
CID 86051716
1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
CID 115759165

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide?
The IUPAC name of 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide (CID 166929459) is 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide.
What is the SMILES notation for 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide?
The canonical SMILES for 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide is CCCCCCC(C)(CCCC)C(=O)NC1COC1.
What is the InChIKey of 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide?
The InChIKey is YMXJCIIWONFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-6-8-9-11-16(3,10-7-5-2)15(18)17-14-12-19-13-14/h14H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide?
2-butyl-2-methyl-N-(oxetan-3-yl)octanamide has a molecular weight of 269.43 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyl-N-(oxetan-3-yl)octanamide is sourced from PubChem (CID 166929459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).