5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one

C17H34N2O — CID 83253856

IUPAC5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
SMILESCCCCCC(C)N1C(=O)C(CCCC)NC1C(C)C
InChIInChI=1S/C17H34N2O/c1-6-8-10-11-14(5)19-16(13(3)4)18-15(17(19)20)12-9-7-2/h13-16,18H,6-12H2,1-5H3
InChIKeySDAYWYHRKBDGSK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.93
Rot. Bonds9

About 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one

5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83253856) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
PubChem CID83253856
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
SMILESCCCCCC(C)N1C(=O)C(CCCC)NC1C(C)C
InChIInChI=1S/C17H34N2O/c1-6-8-10-11-14(5)19-16(13(3)4)18-15(17(19)20)12-9-7-2/h13-16,18H,6-12H2,1-5H3
InChIKeySDAYWYHRKBDGSK-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83239379
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
3-pentan-2-yl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238814
3-octan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83246891
3-(1-cyclopropylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243853
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
5-butyl-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767679

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one (CID 83253856) is 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one is CCCCCC(C)N1C(=O)C(CCCC)NC1C(C)C.
What is the InChIKey of 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is SDAYWYHRKBDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-8-10-11-14(5)19-16(13(3)4)18-15(17(19)20)12-9-7-2/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one?
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83253856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).