N-[(3S)-2-oxooxolan-3-yl]heptadecanamide

C21H39NO3 — CID 68865340

IUPACN-[(3S)-2-oxooxolan-3-yl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19-17-18-25-21(19)24/h19H,2-18H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyAGVSYJYQCNKRFG-IBGZPJMESA-N
MW353.55 g/mol
LogP5.29
Rot. Bonds16

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

N-[(3S)-2-oxooxolan-3-yl]heptadecanamide (PubChem CID 68865340) has the molecular formula C21H39NO3 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]heptadecanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]heptadecanamide
PubChem CID68865340
Molecular FormulaC21H39NO3
Molecular Weight353.55 g/mol
Exact Mass353.29
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19-17-18-25-21(19)24/h19H,2-18H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyAGVSYJYQCNKRFG-IBGZPJMESA-N
XLogP5.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
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
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
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
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
5-bromo-N-(2-oxooxolan-3-yl)pentanamide
CID 107907304
(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
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]heptadecanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]heptadecanamide (CID 68865340) is N-[(3S)-2-oxooxolan-3-yl]heptadecanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]heptadecanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]heptadecanamide is CCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]heptadecanamide?
The InChIKey is AGVSYJYQCNKRFG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19-17-18-25-21(19)24/h19H,2-18H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]heptadecanamide?
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide has a molecular weight of 353.55 g/mol, XLogP of 5.29, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]heptadecanamide is sourced from PubChem (CID 68865340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).