1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)

C24H46N4O3 — CID 167559472

IUPAC1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
SMILESCC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C8H16N2O.2C8H15NO/c1-8(2,3)10-6-5-9(4)7(10)11;2*1-8(2,3)9-6-4-5-7(9)10/h5-6H2,1-4H3;2*4-6H2,1-3H3
InChIKeyDLNFHWAPEWOTJX-UHFFFAOYSA-N
MW438.66 g/mol
LogP3.97
Rot. Bonds

About 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)

1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one) (PubChem CID 167559472) has the molecular formula C24H46N4O3 and a molecular weight of 438.66 g/mol. Its IUPAC name is 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one).

Molecular Properties

Compound Name1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
PubChem CID167559472
Molecular FormulaC24H46N4O3
Molecular Weight438.66 g/mol
Exact Mass438.36
IUPAC Name1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
SMILESCC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C8H16N2O.2C8H15NO/c1-8(2,3)10-6-5-9(4)7(10)11;2*1-8(2,3)9-6-4-5-7(9)10/h5-6H2,1-4H3;2*4-6H2,1-3H3
InChIKeyDLNFHWAPEWOTJX-UHFFFAOYSA-N
XLogP3.97
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 131992272
1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
CID 84770128
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)?
The IUPAC name of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one) (CID 167559472) is 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one).
What is the SMILES notation for 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)?
The canonical SMILES for 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one) is CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)?
The InChIKey is DLNFHWAPEWOTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2C8H15NO/c1-8(2,3)10-6-5-9(4)7(10)11;2*1-8(2,3)9-6-4-5-7(9)10/h5-6H2,1-4H3;2*4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)?
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one) has a molecular weight of 438.66 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one) is sourced from PubChem (CID 167559472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).