4-oxotetradecanamide

C14H27NO2 — CID 176888940

IUPAC4-oxotetradecanamide
SMILESCCCCCCCCCCC(=O)CCC(N)=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-13(16)11-12-14(15)17/h2-12H2,1H3,(H2,15,17)
InChIKeyDDHRCSNGSFSCDI-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.35
Rot. Bonds12

About 4-oxotetradecanamide

4-oxotetradecanamide (PubChem CID 176888940) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-oxotetradecanamide.

Molecular Properties

Compound Name4-oxotetradecanamide
PubChem CID176888940
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-oxotetradecanamide
SMILESCCCCCCCCCCC(=O)CCC(N)=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-13(16)11-12-14(15)17/h2-12H2,1H3,(H2,15,17)
InChIKeyDDHRCSNGSFSCDI-UHFFFAOYSA-N
XLogP3.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.35
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

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentacosan-7-one
CID 54551687
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342

Frequently Asked Questions

What is the IUPAC name of 4-oxotetradecanamide?
The IUPAC name of 4-oxotetradecanamide (CID 176888940) is 4-oxotetradecanamide.
What is the SMILES notation for 4-oxotetradecanamide?
The canonical SMILES for 4-oxotetradecanamide is CCCCCCCCCCC(=O)CCC(N)=O.
What is the InChIKey of 4-oxotetradecanamide?
The InChIKey is DDHRCSNGSFSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-13(16)11-12-14(15)17/h2-12H2,1H3,(H2,15,17).
What are the key properties of 4-oxotetradecanamide?
4-oxotetradecanamide has a molecular weight of 241.37 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxotetradecanamide is sourced from PubChem (CID 176888940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).