2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide

C19H39NO — CID 129033928

IUPAC2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
SMILESCCCCCCCC(C)(CCCC)C(=O)NCC(C)(C)C
InChIInChI=1S/C19H39NO/c1-7-9-11-12-13-15-19(6,14-10-8-2)17(21)20-16-18(3,4)5/h7-16H2,1-6H3,(H,20,21)
InChIKeyMXLXLCSGUBATEL-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.71
Rot. Bonds11

About 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide

2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide (PubChem CID 129033928) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide.

Molecular Properties

Compound Name2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
PubChem CID129033928
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
SMILESCCCCCCCC(C)(CCCC)C(=O)NCC(C)(C)C
InChIInChI=1S/C19H39NO/c1-7-9-11-12-13-15-19(6,14-10-8-2)17(21)20-16-18(3,4)5/h7-16H2,1-6H3,(H,20,21)
InChIKeyMXLXLCSGUBATEL-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446
2-hexyl-N-hydroxy-2-methyloctanamide
CID 170033401
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
2-hexyl-2-methylpentadecanoate
CID 57350898
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
CID 166929459
2-methyldodecan-2-ol
CID 547702
(2S)-2-hexyl-2-methyldecanethioic S-acid
CID 54063202

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide?
The IUPAC name of 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide (CID 129033928) is 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide.
What is the SMILES notation for 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide?
The canonical SMILES for 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide is CCCCCCCC(C)(CCCC)C(=O)NCC(C)(C)C.
What is the InChIKey of 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide?
The InChIKey is MXLXLCSGUBATEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-7-9-11-12-13-15-19(6,14-10-8-2)17(21)20-16-18(3,4)5/h7-16H2,1-6H3,(H,20,21).
What are the key properties of 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide?
2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide has a molecular weight of 297.53 g/mol, XLogP of 5.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide is sourced from PubChem (CID 129033928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).