(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide

C16H25NO4 — CID 56662028

IUPAC(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
SMILESCCCCC/C=C/CCC(=O)CC(=O)N[C@H]1CCOC1=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/h6-7,14H,2-5,8-12H2,1H3,(H,17,19)/b7-6+/t14-/m0/s1
InChIKeyMJZVDDVMMUIMCG-UZYOAWRESA-N
MW295.38 g/mol
LogP2.29
Rot. Bonds10

About (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide

(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide (PubChem CID 56662028) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide.

Molecular Properties

Compound Name(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
PubChem CID56662028
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
SMILESCCCCC/C=C/CCC(=O)CC(=O)N[C@H]1CCOC1=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/h6-7,14H,2-5,8-12H2,1H3,(H,17,19)/b7-6+/t14-/m0/s1
InChIKeyMJZVDDVMMUIMCG-UZYOAWRESA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.29
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 24882438
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313
12-bromo-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 11014269

Frequently Asked Questions

What is the IUPAC name of (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide?
The IUPAC name of (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide (CID 56662028) is (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide.
What is the SMILES notation for (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide?
The canonical SMILES for (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide is CCCCC/C=C/CCC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide?
The InChIKey is MJZVDDVMMUIMCG-UZYOAWRESA-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/h6-7,14H,2-5,8-12H2,1H3,(H,17,19)/b7-6+/t14-/m0/s1.
What are the key properties of (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide?
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide has a molecular weight of 295.38 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide is sourced from PubChem (CID 56662028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).