3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide

C15H25NO4 — CID 102493433

IUPAC3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)N[C@H]1COC1=O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-6-7-8-9-12(17)10-14(18)16-13-11-20-15(13)19/h13H,2-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIQEWTWZMEPREON-ZDUSSCGKSA-N
MW283.37 g/mol
LogP2.13
Rot. Bonds11

About 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide

3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide (PubChem CID 102493433) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide.

Molecular Properties

Compound Name3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
PubChem CID102493433
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)N[C@H]1COC1=O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-6-7-8-9-12(17)10-14(18)16-13-11-20-15(13)19/h13H,2-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIQEWTWZMEPREON-ZDUSSCGKSA-N
XLogP2.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.13
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'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide
CID 72701819
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
3-oxo-N-(2-oxocyclopentyl)dodecanamide
CID 23396790
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
12-bromo-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 11014269
3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide
CID 87959472
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
1-[(3S)-2-oxooxolan-3-yl]dodecane-1,3-dione
CID 102575878

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide?
The IUPAC name of 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide (CID 102493433) is 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide.
What is the SMILES notation for 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide?
The canonical SMILES for 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide is CCCCCCCCCC(=O)CC(=O)N[C@H]1COC1=O.
What is the InChIKey of 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide?
The InChIKey is IQEWTWZMEPREON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-3-4-5-6-7-8-9-12(17)10-14(18)16-13-11-20-15(13)19/h13H,2-11H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide?
3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide has a molecular weight of 283.37 g/mol, XLogP of 2.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide is sourced from PubChem (CID 102493433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).