(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide

C20H35NO3 — CID 11638617

IUPAC(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
SMILESCCCCCCC/C=C/CCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h8-9,18H,2-7,10-17H2,1H3,(H,21,22)/b9-8+/t18-/m0/s1
InChIKeyDUDRZWGXCCVZPL-BLGFXRMMSA-N
MW337.50 g/mol
LogP4.68
Rot. Bonds14

About (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide

(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide (PubChem CID 11638617) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide.

Molecular Properties

Compound Name(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
PubChem CID11638617
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
SMILESCCCCCCC/C=C/CCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h8-9,18H,2-7,10-17H2,1H3,(H,21,22)/b9-8+/t18-/m0/s1
InChIKeyDUDRZWGXCCVZPL-BLGFXRMMSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 24882438
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
CID 163113253
6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
CID 65418345
(E)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide
CID 100993091

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide?
The IUPAC name of (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide (CID 11638617) is (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide.
What is the SMILES notation for (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide?
The canonical SMILES for (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide is CCCCCCC/C=C/CCCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide?
The InChIKey is DUDRZWGXCCVZPL-BLGFXRMMSA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h8-9,18H,2-7,10-17H2,1H3,(H,21,22)/b9-8+/t18-/m0/s1.
What are the key properties of (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide?
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide has a molecular weight of 337.50 g/mol, XLogP of 4.68, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide is sourced from PubChem (CID 11638617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).