4-methyl-4-pentyldecanamide

C16H33NO — CID 155082374

IUPAC4-methyl-4-pentyldecanamide
SMILESCCCCCCC(C)(CCCCC)CCC(N)=O
InChIInChI=1S/C16H33NO/c1-4-6-8-10-13-16(3,12-9-7-5-2)14-11-15(17)18/h4-14H2,1-3H3,(H2,17,18)
InChIKeyYGFOQRJMBWETGV-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.81
Rot. Bonds12

About 4-methyl-4-pentyldecanamide

4-methyl-4-pentyldecanamide (PubChem CID 155082374) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-methyl-4-pentyldecanamide.

Molecular Properties

Compound Name4-methyl-4-pentyldecanamide
PubChem CID155082374
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-methyl-4-pentyldecanamide
SMILESCCCCCCC(C)(CCCCC)CCC(N)=O
InChIInChI=1S/C16H33NO/c1-4-6-8-10-13-16(3,12-9-7-5-2)14-11-15(17)18/h4-14H2,1-3H3,(H2,17,18)
InChIKeyYGFOQRJMBWETGV-UHFFFAOYSA-N
XLogP4.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.81
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

4-methyl-4-propylheptanamide
CID 90273698
4-butyl-4-methylundecanoic acid
CID 134441249
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
5-butyl-5-methylpentadecane
CID 174700907
2,2-dimethylhexadecanamide
CID 23297438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pentyldecanamide?
The IUPAC name of 4-methyl-4-pentyldecanamide (CID 155082374) is 4-methyl-4-pentyldecanamide.
What is the SMILES notation for 4-methyl-4-pentyldecanamide?
The canonical SMILES for 4-methyl-4-pentyldecanamide is CCCCCCC(C)(CCCCC)CCC(N)=O.
What is the InChIKey of 4-methyl-4-pentyldecanamide?
The InChIKey is YGFOQRJMBWETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-8-10-13-16(3,12-9-7-5-2)14-11-15(17)18/h4-14H2,1-3H3,(H2,17,18).
What are the key properties of 4-methyl-4-pentyldecanamide?
4-methyl-4-pentyldecanamide has a molecular weight of 255.45 g/mol, XLogP of 4.81, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pentyldecanamide is sourced from PubChem (CID 155082374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).