2-oxo-N-tetradecyloctadecanamide

C32H63NO2 — CID 87948435

IUPAC2-oxo-N-tetradecyloctadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)C(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C32H63NO2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31(34)32(35)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)
InChIKeySCNRLSDJPMKPLQ-UHFFFAOYSA-N
MW493.86 g/mol
LogP10.24
Rot. Bonds29

About 2-oxo-N-tetradecyloctadecanamide

2-oxo-N-tetradecyloctadecanamide (PubChem CID 87948435) has the molecular formula C32H63NO2 and a molecular weight of 493.86 g/mol. Its IUPAC name is 2-oxo-N-tetradecyloctadecanamide.

Molecular Properties

Compound Name2-oxo-N-tetradecyloctadecanamide
PubChem CID87948435
Molecular FormulaC32H63NO2
Molecular Weight493.86 g/mol
Exact Mass493.49
IUPAC Name2-oxo-N-tetradecyloctadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)C(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C32H63NO2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31(34)32(35)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)
InChIKeySCNRLSDJPMKPLQ-UHFFFAOYSA-N
XLogP10.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.86
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(4-oxooctyl)hexadecanamide
CID 44562729
methyl 4-(2-oxohexadecanoylamino)butanoate
CID 11360688
N,N'-diheptyloxamide
CID 3417538
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
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-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-tetradecyloctadecanamide?
The IUPAC name of 2-oxo-N-tetradecyloctadecanamide (CID 87948435) is 2-oxo-N-tetradecyloctadecanamide.
What is the SMILES notation for 2-oxo-N-tetradecyloctadecanamide?
The canonical SMILES for 2-oxo-N-tetradecyloctadecanamide is CCCCCCCCCCCCCCCCC(=O)C(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of 2-oxo-N-tetradecyloctadecanamide?
The InChIKey is SCNRLSDJPMKPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63NO2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31(34)32(35)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35).
What are the key properties of 2-oxo-N-tetradecyloctadecanamide?
2-oxo-N-tetradecyloctadecanamide has a molecular weight of 493.86 g/mol, XLogP of 10.24, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-tetradecyloctadecanamide is sourced from PubChem (CID 87948435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).