(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide

C18H29NO3 — CID 44613051

IUPAC(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide
SMILESCCCCCC/C=C\CCC/C=C/C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,12-13,16H,2-6,9-11,14-15H2,1H3,(H,19,20)/b8-7-,13-12+/t16-/m0/s1
InChIKeyTYHKFWFVACFWKK-SLMRMYRXSA-N
MW307.43 g/mol
LogP3.67
Rot. Bonds11

About (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide

(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide (PubChem CID 44613051) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide.

Molecular Properties

Compound Name(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide
PubChem CID44613051
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide
SMILESCCCCCC/C=C\CCC/C=C/C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,12-13,16H,2-6,9-11,14-15H2,1H3,(H,19,20)/b8-7-,13-12+/t16-/m0/s1
InChIKeyTYHKFWFVACFWKK-SLMRMYRXSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.67
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide?
The IUPAC name of (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide (CID 44613051) is (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide.
What is the SMILES notation for (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide?
The canonical SMILES for (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide is CCCCCC/C=C\CCC/C=C/C(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide?
The InChIKey is TYHKFWFVACFWKK-SLMRMYRXSA-N. The full InChI is InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,12-13,16H,2-6,9-11,14-15H2,1H3,(H,19,20)/b8-7-,13-12+/t16-/m0/s1.
What are the key properties of (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide?
(2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide has a molecular weight of 307.43 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-N-[(3S)-2-oxooxolan-3-yl]tetradeca-2,7-dienamide is sourced from PubChem (CID 44613051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).