3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide

C18H34F3NO — CID 170026598

IUPAC3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide
SMILESCC(C)CCCCCCCCCCNC(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C18H34F3NO/c1-15(2)13-11-9-7-5-6-8-10-12-14-22-16(23)17(3,4)18(19,20)21/h15H,5-14H2,1-4H3,(H,22,23)
InChIKeyYDPJWVGNBITIRH-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.86
Rot. Bonds12

About 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide

3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide (PubChem CID 170026598) has the molecular formula C18H34F3NO and a molecular weight of 337.47 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide
PubChem CID170026598
Molecular FormulaC18H34F3NO
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide
SMILESCC(C)CCCCCCCCCCNC(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C18H34F3NO/c1-15(2)13-11-9-7-5-6-8-10-12-14-22-16(23)17(3,4)18(19,20)21/h15H,5-14H2,1-4H3,(H,22,23)
InChIKeyYDPJWVGNBITIRH-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.86
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

3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
1-methyl-3-(7-methyloctyl)urea
CID 71899901
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
2-(7-methyloctylamino)-2-oxoacetic acid
CID 104766982

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide (CID 170026598) is 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide is CC(C)CCCCCCCCCCNC(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide?
The InChIKey is YDPJWVGNBITIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F3NO/c1-15(2)13-11-9-7-5-6-8-10-12-14-22-16(23)17(3,4)18(19,20)21/h15H,5-14H2,1-4H3,(H,22,23).
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide?
3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide is sourced from PubChem (CID 170026598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).