N-(4-oxohexyl)pentadecanamide

C21H41NO2 — CID 170421941

IUPACN-(4-oxohexyl)pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCC(=O)CC
InChIInChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21(24)22-19-16-17-20(23)4-2/h3-19H2,1-2H3,(H,22,24)
InChIKeyBUJOBRRBBIVGTO-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.95
Rot. Bonds18

About N-(4-oxohexyl)pentadecanamide

N-(4-oxohexyl)pentadecanamide (PubChem CID 170421941) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-(4-oxohexyl)pentadecanamide.

Molecular Properties

Compound NameN-(4-oxohexyl)pentadecanamide
PubChem CID170421941
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-(4-oxohexyl)pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCC(=O)CC
InChIInChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21(24)22-19-16-17-20(23)4-2/h3-19H2,1-2H3,(H,22,24)
InChIKeyBUJOBRRBBIVGTO-UHFFFAOYSA-N
XLogP5.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.95
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

N-(4-oxohexyl)octadecanamide
CID 90448629
N-(8-oxotridecyl)hexanamide
CID 148531467
8-oxo-N-propyldecanamide
CID 156819961
N-hexadecyl-4-oxohexanamide
CID 59141452
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-(4-oxohexyl)pentadecanamide?
The IUPAC name of N-(4-oxohexyl)pentadecanamide (CID 170421941) is N-(4-oxohexyl)pentadecanamide.
What is the SMILES notation for N-(4-oxohexyl)pentadecanamide?
The canonical SMILES for N-(4-oxohexyl)pentadecanamide is CCCCCCCCCCCCCCC(=O)NCCCC(=O)CC.
What is the InChIKey of N-(4-oxohexyl)pentadecanamide?
The InChIKey is BUJOBRRBBIVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21(24)22-19-16-17-20(23)4-2/h3-19H2,1-2H3,(H,22,24).
What are the key properties of N-(4-oxohexyl)pentadecanamide?
N-(4-oxohexyl)pentadecanamide has a molecular weight of 339.56 g/mol, XLogP of 5.95, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxohexyl)pentadecanamide is sourced from PubChem (CID 170421941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).