5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one

C14H26N2O2 — CID 114125414

IUPAC5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one
SMILESCCCCC1NCN(CC2(C)CCOCC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-3-4-5-12-13(17)16(11-15-12)10-14(2)6-8-18-9-7-14/h12,15H,3-11H2,1-2H3
InChIKeyFBLGJFDHWDKLTI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds5

About 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one

5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one (PubChem CID 114125414) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one
PubChem CID114125414
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one
SMILESCCCCC1NCN(CC2(C)CCOCC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-3-4-5-12-13(17)16(11-15-12)10-14(2)6-8-18-9-7-14/h12,15H,3-11H2,1-2H3
InChIKeyFBLGJFDHWDKLTI-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
CID 83270798
5-butyl-3-decylimidazolidin-4-one
CID 83270318
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591
5-butyl-3-(cyclobutylmethyl)imidazolidin-4-one
CID 83244571
5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255355
5-butyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83257839
5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83247648
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472
3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one
CID 114125447
5-butyl-3-[(3-methylcyclopentyl)methyl]imidazolidin-4-one
CID 107416078
5-butyl-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
CID 103968821
3-butyl-5-ethylimidazolidin-4-one
CID 83238020

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one (CID 114125414) is 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one is CCCCC1NCN(CC2(C)CCOCC2)C1=O.
What is the InChIKey of 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one?
The InChIKey is FBLGJFDHWDKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-4-5-12-13(17)16(11-15-12)10-14(2)6-8-18-9-7-14/h12,15H,3-11H2,1-2H3.
What are the key properties of 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one?
5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 114125414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).