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

C18H31NO4 — CID 24882438

IUPAC(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
SMILESCCCCCC/C=C\CCC[C@H](O)CC(=O)N[C@@H]1CCOC1=O
InChIInChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t15-,16+/m0/s1
InChIKeyGFSFGXWHLLUVRK-YVDRWBGASA-N
MW325.45 g/mol
LogP2.87
Rot. Bonds12

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

(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide (PubChem CID 24882438) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide.

Molecular Properties

Compound Name(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
PubChem CID24882438
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
SMILESCCCCCC/C=C\CCC[C@H](O)CC(=O)N[C@@H]1CCOC1=O
InChIInChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t15-,16+/m0/s1
InChIKeyGFSFGXWHLLUVRK-YVDRWBGASA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
CID 11515162
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195
(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
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide?
The IUPAC name of (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide (CID 24882438) is (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide.
What is the SMILES notation for (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide?
The canonical SMILES for (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide is CCCCCC/C=C\CCC[C@H](O)CC(=O)N[C@@H]1CCOC1=O.
What is the InChIKey of (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide?
The InChIKey is GFSFGXWHLLUVRK-YVDRWBGASA-N. The full InChI is InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t15-,16+/m0/s1.
What are the key properties of (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide?
(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide has a molecular weight of 325.45 g/mol, XLogP of 2.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide is sourced from PubChem (CID 24882438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).