N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide

C20H39NO2 — CID 165080443

IUPACN-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
SMILESCC(C)(C)CCCCCCC(=O)CCC(=O)NCCC(C)(C)C
InChIInChI=1S/C20H39NO2/c1-19(2,3)14-10-8-7-9-11-17(22)12-13-18(23)21-16-15-20(4,5)6/h7-16H2,1-6H3,(H,21,23)
InChIKeyMSIZTGXCKJXWSY-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.27
Rot. Bonds11

About N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide

N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide (PubChem CID 165080443) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
PubChem CID165080443
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
SMILESCC(C)(C)CCCCCCC(=O)CCC(=O)NCCC(C)(C)C
InChIInChI=1S/C20H39NO2/c1-19(2,3)14-10-8-7-9-11-17(22)12-13-18(23)21-16-15-20(4,5)6/h7-16H2,1-6H3,(H,21,23)
InChIKeyMSIZTGXCKJXWSY-UHFFFAOYSA-N
XLogP5.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.27
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

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N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
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N-butyl-10,10-dimethylundecanamide
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CID 167085333
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CID 139961894
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
CID 164953894
N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
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CID 176614152

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide (CID 165080443) is N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide is CC(C)(C)CCCCCCC(=O)CCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide?
The InChIKey is MSIZTGXCKJXWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-19(2,3)14-10-8-7-9-11-17(22)12-13-18(23)21-16-15-20(4,5)6/h7-16H2,1-6H3,(H,21,23).
What are the key properties of N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide?
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide has a molecular weight of 325.54 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide is sourced from PubChem (CID 165080443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).