N-pentan-2-ylundecanamide

C16H33NO — CID 173258559

IUPACN-pentan-2-ylundecanamide
SMILESCCCCCCCCCCC(=O)NC(C)CCC
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-10-11-12-14-16(18)17-15(3)13-5-2/h15H,4-14H2,1-3H3,(H,17,18)
InChIKeyPILCJINICIIAEO-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.82
Rot. Bonds12

About N-pentan-2-ylundecanamide

N-pentan-2-ylundecanamide (PubChem CID 173258559) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-pentan-2-ylundecanamide.

Molecular Properties

Compound NameN-pentan-2-ylundecanamide
PubChem CID173258559
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-pentan-2-ylundecanamide
SMILESCCCCCCCCCCC(=O)NC(C)CCC
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-10-11-12-14-16(18)17-15(3)13-5-2/h15H,4-14H2,1-3H3,(H,17,18)
InChIKeyPILCJINICIIAEO-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 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 ≤ 54.82
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-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
3-(heptanoylamino)butanoic acid
CID 43360958
N-(1-hydroxybutyl)decanamide
CID 87762139
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide
CID 91505971

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylundecanamide?
The IUPAC name of N-pentan-2-ylundecanamide (CID 173258559) is N-pentan-2-ylundecanamide.
What is the SMILES notation for N-pentan-2-ylundecanamide?
The canonical SMILES for N-pentan-2-ylundecanamide is CCCCCCCCCCC(=O)NC(C)CCC.
What is the InChIKey of N-pentan-2-ylundecanamide?
The InChIKey is PILCJINICIIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-8-9-10-11-12-14-16(18)17-15(3)13-5-2/h15H,4-14H2,1-3H3,(H,17,18).
What are the key properties of N-pentan-2-ylundecanamide?
N-pentan-2-ylundecanamide has a molecular weight of 255.45 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylundecanamide is sourced from PubChem (CID 173258559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).