(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide

C18H31NO3 — CID 44614389

IUPAC(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
SMILESCCCCCC/C=C\CCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,16H,2-6,9-15H2,1H3,(H,19,20)/b8-7-/t16-/m0/s1
InChIKeyCAUQHAIJBWAQIL-PTZVLDCSSA-N
MW309.45 g/mol
LogP3.90
Rot. Bonds12

About (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide

(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide (PubChem CID 44614389) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
PubChem CID44614389
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
SMILESCCCCCC/C=C\CCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,16H,2-6,9-15H2,1H3,(H,19,20)/b8-7-/t16-/m0/s1
InChIKeyCAUQHAIJBWAQIL-PTZVLDCSSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide?
The IUPAC name of (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide (CID 44614389) is (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide.
What is the SMILES notation for (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide?
The canonical SMILES for (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide is CCCCCC/C=C\CCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide?
The InChIKey is CAUQHAIJBWAQIL-PTZVLDCSSA-N. The full InChI is InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h7-8,16H,2-6,9-15H2,1H3,(H,19,20)/b8-7-/t16-/m0/s1.
What are the key properties of (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide?
(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide has a molecular weight of 309.45 g/mol, XLogP of 3.90, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide is sourced from PubChem (CID 44614389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).