(2-heptadecylimidazolidin-2-yl) acetate

C22H44N2O2 — CID 158895933

IUPAC(2-heptadecylimidazolidin-2-yl) acetate
SMILESCCCCCCCCCCCCCCCCCC1(OC(C)=O)NCCN1
InChIInChI=1S/C22H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26-21(2)25)23-19-20-24-22/h23-24H,3-20H2,1-2H3
InChIKeyJEVGIBAKEJWJHU-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.66
Rot. Bonds17

About (2-heptadecylimidazolidin-2-yl) acetate

(2-heptadecylimidazolidin-2-yl) acetate (PubChem CID 158895933) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (2-heptadecylimidazolidin-2-yl) acetate.

Molecular Properties

Compound Name(2-heptadecylimidazolidin-2-yl) acetate
PubChem CID158895933
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name(2-heptadecylimidazolidin-2-yl) acetate
SMILESCCCCCCCCCCCCCCCCCC1(OC(C)=O)NCCN1
InChIInChI=1S/C22H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26-21(2)25)23-19-20-24-22/h23-24H,3-20H2,1-2H3
InChIKeyJEVGIBAKEJWJHU-UHFFFAOYSA-N
XLogP5.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,6S)-6-hexyl-1-bicyclo[4.1.0]heptanyl] acetate
CID 10444235
(2-heptadecylimidazolidin-2-yl)methanol
CID 141387929
ethyl acetate;decakis(heptane)
CID 173339657
ethyl acetate;pentakis(heptane)
CID 173012961
dodecane;ethyl acetate
CID 173033257
ethaneperoxoic acid;octane
CID 87879495
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
octane;propyl acetate
CID 174786724
1-(1-octylcyclopropyl)ethanone
CID 22042371
ethyl acetate;pentadecakis(hexane)
CID 173347874
ethyl acetate;(hexane)
CID 173056685
ethyl acetate;decakis(hexane)
CID 173035239

Frequently Asked Questions

What is the IUPAC name of (2-heptadecylimidazolidin-2-yl) acetate?
The IUPAC name of (2-heptadecylimidazolidin-2-yl) acetate (CID 158895933) is (2-heptadecylimidazolidin-2-yl) acetate.
What is the SMILES notation for (2-heptadecylimidazolidin-2-yl) acetate?
The canonical SMILES for (2-heptadecylimidazolidin-2-yl) acetate is CCCCCCCCCCCCCCCCCC1(OC(C)=O)NCCN1.
What is the InChIKey of (2-heptadecylimidazolidin-2-yl) acetate?
The InChIKey is JEVGIBAKEJWJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26-21(2)25)23-19-20-24-22/h23-24H,3-20H2,1-2H3.
What are the key properties of (2-heptadecylimidazolidin-2-yl) acetate?
(2-heptadecylimidazolidin-2-yl) acetate has a molecular weight of 368.61 g/mol, XLogP of 5.66, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptadecylimidazolidin-2-yl) acetate is sourced from PubChem (CID 158895933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).