N-(4-oxohexyl)octadecanamide

C24H47NO2 — CID 90448629

IUPACN-(4-oxohexyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)CC
InChIInChI=1S/C24H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)25-22-19-20-23(26)4-2/h3-22H2,1-2H3,(H,25,27)
InChIKeyWAMKFNNRXDRFFO-UHFFFAOYSA-N
MW381.65 g/mol
LogP7.12
Rot. Bonds21

About N-(4-oxohexyl)octadecanamide

N-(4-oxohexyl)octadecanamide (PubChem CID 90448629) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is N-(4-oxohexyl)octadecanamide.

Molecular Properties

Compound NameN-(4-oxohexyl)octadecanamide
PubChem CID90448629
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC NameN-(4-oxohexyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)CC
InChIInChI=1S/C24H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)25-22-19-20-23(26)4-2/h3-22H2,1-2H3,(H,25,27)
InChIKeyWAMKFNNRXDRFFO-UHFFFAOYSA-N
XLogP7.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 57.12
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)pentadecanamide
CID 170421941
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-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-(4-oxohexyl)octadecanamide?
The IUPAC name of N-(4-oxohexyl)octadecanamide (CID 90448629) is N-(4-oxohexyl)octadecanamide.
What is the SMILES notation for N-(4-oxohexyl)octadecanamide?
The canonical SMILES for N-(4-oxohexyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)CC.
What is the InChIKey of N-(4-oxohexyl)octadecanamide?
The InChIKey is WAMKFNNRXDRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)25-22-19-20-23(26)4-2/h3-22H2,1-2H3,(H,25,27).
What are the key properties of N-(4-oxohexyl)octadecanamide?
N-(4-oxohexyl)octadecanamide has a molecular weight of 381.65 g/mol, XLogP of 7.12, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxohexyl)octadecanamide is sourced from PubChem (CID 90448629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).