N,2,4-trimethyldodecanamide

C15H31NO — CID 17384180

IUPACN,2,4-trimethyldodecanamide
SMILESCCCCCCCCC(C)CC(C)C(=O)NC
InChIInChI=1S/C15H31NO/c1-5-6-7-8-9-10-11-13(2)12-14(3)15(17)16-4/h13-14H,5-12H2,1-4H3,(H,16,17)
InChIKeyFDKSOCQVSBZZFI-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.15
Rot. Bonds10

About N,2,4-trimethyldodecanamide

N,2,4-trimethyldodecanamide (PubChem CID 17384180) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N,2,4-trimethyldodecanamide.

Molecular Properties

Compound NameN,2,4-trimethyldodecanamide
PubChem CID17384180
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN,2,4-trimethyldodecanamide
SMILESCCCCCCCCC(C)CC(C)C(=O)NC
InChIInChI=1S/C15H31NO/c1-5-6-7-8-9-10-11-13(2)12-14(3)15(17)16-4/h13-14H,5-12H2,1-4H3,(H,16,17)
InChIKeyFDKSOCQVSBZZFI-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.15
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

2,4-dimethyltetradecanoic acid
CID 5282697
2,4-dimethylicosanoate
CID 102514957
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
6,8-dimethylhexadecane
CID 91185725
2,24,26-trimethyldotetracontane
CID 91249721
2-amino-N-methyltetradecanamide
CID 88912425
2-ethyl-N-methyltetradecanamide
CID 161072731
butyl 2,4,6,8-tetramethyltriacontanoate
CID 90425788
2-chloro-N-methylheptanamide
CID 62224207
N,4-dimethyldecan-2-amine
CID 64721855
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyldodecanamide?
The IUPAC name of N,2,4-trimethyldodecanamide (CID 17384180) is N,2,4-trimethyldodecanamide.
What is the SMILES notation for N,2,4-trimethyldodecanamide?
The canonical SMILES for N,2,4-trimethyldodecanamide is CCCCCCCCC(C)CC(C)C(=O)NC.
What is the InChIKey of N,2,4-trimethyldodecanamide?
The InChIKey is FDKSOCQVSBZZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-6-7-8-9-10-11-13(2)12-14(3)15(17)16-4/h13-14H,5-12H2,1-4H3,(H,16,17).
What are the key properties of N,2,4-trimethyldodecanamide?
N,2,4-trimethyldodecanamide has a molecular weight of 241.42 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyldodecanamide is sourced from PubChem (CID 17384180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).