N-oxotetradecanamide

C14H27NO2 — CID 87730431

IUPACN-oxotetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h2-13H2,1H3
InChIKeyMVICPCVQGBPRDC-UHFFFAOYSA-N
MW241.37 g/mol
LogP4.98
Rot. Bonds12

About N-oxotetradecanamide

N-oxotetradecanamide (PubChem CID 87730431) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-oxotetradecanamide.

Molecular Properties

Compound NameN-oxotetradecanamide
PubChem CID87730431
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-oxotetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h2-13H2,1H3
InChIKeyMVICPCVQGBPRDC-UHFFFAOYSA-N
XLogP4.98
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-oxooctanamide
CID 87234486
N-oxobutanamide
CID 87293137
N-methylidenehexacosanamide
CID 89187174
N-sulfanylideneoctanamide
CID 58219363
N-methylidenedocosanamide
CID 175417802
8-bromo-N-oxooctanamide
CID 118895802
nonanoyl isothiocyanate
CID 19774855
N-propylideneundecanamide
CID 90933467
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711

Frequently Asked Questions

What is the IUPAC name of N-oxotetradecanamide?
The IUPAC name of N-oxotetradecanamide (CID 87730431) is N-oxotetradecanamide.
What is the SMILES notation for N-oxotetradecanamide?
The canonical SMILES for N-oxotetradecanamide is CCCCCCCCCCCCCC(=O)N=O.
What is the InChIKey of N-oxotetradecanamide?
The InChIKey is MVICPCVQGBPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h2-13H2,1H3.
What are the key properties of N-oxotetradecanamide?
N-oxotetradecanamide has a molecular weight of 241.37 g/mol, XLogP of 4.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxotetradecanamide is sourced from PubChem (CID 87730431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).