3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide

C16H25NO4 — CID 23382587

IUPAC3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC1=CCOC1=O
InChIInChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h10H,2-9,11-12H2,1H3,(H,17,19)
InChIKeyDNPJLXIXXGRFRN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.64
Rot. Bonds11

About 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide

3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide (PubChem CID 23382587) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide.

Molecular Properties

Compound Name3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide
PubChem CID23382587
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NC1=CCOC1=O
InChIInChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h10H,2-9,11-12H2,1H3,(H,17,19)
InChIKeyDNPJLXIXXGRFRN-UHFFFAOYSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
CID 102493433
heptacosane-10,12-dione
CID 14235516
5-(3-oxononanoylamino)furan-2-carboxylic acid
CID 23032339
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387
3-oxo-N-(1H-pyrazol-5-yl)nonanamide
CID 10130928
1-[(3S)-2-oxooxolan-3-yl]dodecane-1,3-dione
CID 102575878
4-(1-hydroxytridecyl)-2H-furan-5-one
CID 15170115
N-(2,6-diethylphenyl)-3-oxoheptanamide
CID 71337961
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide?
The IUPAC name of 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide (CID 23382587) is 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide.
What is the SMILES notation for 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide?
The canonical SMILES for 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide is CCCCCCCCCC(=O)CC(=O)NC1=CCOC1=O.
What is the InChIKey of 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide?
The InChIKey is DNPJLXIXXGRFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h10H,2-9,11-12H2,1H3,(H,17,19).
What are the key properties of 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide?
3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide has a molecular weight of 295.38 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(5-oxo-2H-furan-4-yl)dodecanamide is sourced from PubChem (CID 23382587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).