1-ethyl-4-heptadec-2-enylimidazolidin-2-one

C22H42N2O — CID 69379712

IUPAC1-ethyl-4-heptadec-2-enylimidazolidin-2-one
SMILESCCCCCCCCCCCCCCC=CCC1CN(CC)C(=O)N1
InChIInChI=1S/C22H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-24(4-2)22(25)23-21/h17-18,21H,3-16,19-20H2,1-2H3,(H,23,25)
InChIKeyNSGGNKHEBJBRCS-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.44
Rot. Bonds16

About 1-ethyl-4-heptadec-2-enylimidazolidin-2-one

1-ethyl-4-heptadec-2-enylimidazolidin-2-one (PubChem CID 69379712) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 1-ethyl-4-heptadec-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-heptadec-2-enylimidazolidin-2-one
PubChem CID69379712
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name1-ethyl-4-heptadec-2-enylimidazolidin-2-one
SMILESCCCCCCCCCCCCCCC=CCC1CN(CC)C(=O)N1
InChIInChI=1S/C22H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-24(4-2)22(25)23-21/h17-18,21H,3-16,19-20H2,1-2H3,(H,23,25)
InChIKeyNSGGNKHEBJBRCS-UHFFFAOYSA-N
XLogP6.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 174922472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-heptadec-2-enylimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-heptadec-2-enylimidazolidin-2-one (CID 69379712) is 1-ethyl-4-heptadec-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-heptadec-2-enylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-heptadec-2-enylimidazolidin-2-one is CCCCCCCCCCCCCCC=CCC1CN(CC)C(=O)N1.
What is the InChIKey of 1-ethyl-4-heptadec-2-enylimidazolidin-2-one?
The InChIKey is NSGGNKHEBJBRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20-24(4-2)22(25)23-21/h17-18,21H,3-16,19-20H2,1-2H3,(H,23,25).
What are the key properties of 1-ethyl-4-heptadec-2-enylimidazolidin-2-one?
1-ethyl-4-heptadec-2-enylimidazolidin-2-one has a molecular weight of 350.59 g/mol, XLogP of 6.44, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-heptadec-2-enylimidazolidin-2-one is sourced from PubChem (CID 69379712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).