N-hexadecyl-4-oxohexanamide

C22H43NO2 — CID 59141452

IUPACN-hexadecyl-4-oxohexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCC(=O)CC
InChIInChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-22(25)19-18-21(24)4-2/h3-20H2,1-2H3,(H,23,25)
InChIKeySLEIKZGTSOGBSG-UHFFFAOYSA-N
MW353.59 g/mol
LogP6.34
Rot. Bonds19

About N-hexadecyl-4-oxohexanamide

N-hexadecyl-4-oxohexanamide (PubChem CID 59141452) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-hexadecyl-4-oxohexanamide.

Molecular Properties

Compound NameN-hexadecyl-4-oxohexanamide
PubChem CID59141452
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC NameN-hexadecyl-4-oxohexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCC(=O)CC
InChIInChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-22(25)19-18-21(24)4-2/h3-20H2,1-2H3,(H,23,25)
InChIKeySLEIKZGTSOGBSG-UHFFFAOYSA-N
XLogP6.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.34
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-(4-oxohexyl)pentadecanamide
CID 170421941
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
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-hexadecyl-4-oxohexanamide?
The IUPAC name of N-hexadecyl-4-oxohexanamide (CID 59141452) is N-hexadecyl-4-oxohexanamide.
What is the SMILES notation for N-hexadecyl-4-oxohexanamide?
The canonical SMILES for N-hexadecyl-4-oxohexanamide is CCCCCCCCCCCCCCCCNC(=O)CCC(=O)CC.
What is the InChIKey of N-hexadecyl-4-oxohexanamide?
The InChIKey is SLEIKZGTSOGBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-22(25)19-18-21(24)4-2/h3-20H2,1-2H3,(H,23,25).
What are the key properties of N-hexadecyl-4-oxohexanamide?
N-hexadecyl-4-oxohexanamide has a molecular weight of 353.59 g/mol, XLogP of 6.34, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-4-oxohexanamide is sourced from PubChem (CID 59141452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).