N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide

C18H32N2O3 — CID 123904263

IUPACN-(2-oxooxolan-3-yl)tetradec-7-enehydrazide
SMILESCCCCCCC=CCCCCCC(=O)N(N)C1CCOC1=O
InChIInChI=1S/C18H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20(19)16-14-15-23-18(16)22/h7-8,16H,2-6,9-15,19H2,1H3
InChIKeyGDHNCGBJJSWNIY-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.48
Rot. Bonds12

About N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide

N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide (PubChem CID 123904263) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)tetradec-7-enehydrazide
PubChem CID123904263
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC NameN-(2-oxooxolan-3-yl)tetradec-7-enehydrazide
SMILESCCCCCCC=CCCCCCC(=O)N(N)C1CCOC1=O
InChIInChI=1S/C18H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20(19)16-14-15-23-18(16)22/h7-8,16H,2-6,9-15,19H2,1H3
InChIKeyGDHNCGBJJSWNIY-UHFFFAOYSA-N
XLogP3.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
CID 163113253
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
3-[(Z)-docos-13-enoyl]oxolane-2,5-dione
CID 175125548
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839

Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide?
The IUPAC name of N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide (CID 123904263) is N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide?
The canonical SMILES for N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide is CCCCCCC=CCCCCCC(=O)N(N)C1CCOC1=O.
What is the InChIKey of N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide?
The InChIKey is GDHNCGBJJSWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20(19)16-14-15-23-18(16)22/h7-8,16H,2-6,9-15,19H2,1H3.
What are the key properties of N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide?
N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide has a molecular weight of 324.46 g/mol, XLogP of 3.48, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide is sourced from PubChem (CID 123904263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).