3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide

C19H33NO4 — CID 87606219

IUPAC3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
SMILESCCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)15-18(22)20-17-13-14-24-19(17)23/h17H,2-15H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyFTDAFXBEFFKKAZ-KRWDZBQOSA-N
MW339.48 g/mol
LogP3.69
Rot. Bonds14

About 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide

3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide (PubChem CID 87606219) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide.

Molecular Properties

Compound Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
PubChem CID87606219
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
SMILESCCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)15-18(22)20-17-13-14-24-19(17)23/h17H,2-15H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyFTDAFXBEFFKKAZ-KRWDZBQOSA-N
XLogP3.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
12-bromo-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 11014269
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
CID 102493433
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
[11,13-dioxo-13-[(2-oxooxolan-3-yl)amino]tridecyl]carbamic acid
CID 123693906
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313
14-azido-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
CID 72701815

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide?
The IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide (CID 87606219) is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide.
What is the SMILES notation for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide?
The canonical SMILES for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide is CCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide?
The InChIKey is FTDAFXBEFFKKAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)15-18(22)20-17-13-14-24-19(17)23/h17H,2-15H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide?
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide has a molecular weight of 339.48 g/mol, XLogP of 3.69, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide is sourced from PubChem (CID 87606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).