bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide

C29H47N5O9 — CID 157431929

IUPACbis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide
SMILESCC1(C)CC(N2C(=O)NC(C)(C)C2=O)C(=O)O1.CC1(C)CC(N2C(=O)NC(C)(C)C2=O)C(=O)O1.CCCCCCC(N)=O
InChIInChI=1S/2C11H16N2O4.C7H15NO/c2*1-10(2)5-6(7(14)17-10)13-8(15)11(3,4)12-9(13)16;1-2-3-4-5-6-7(8)9/h2*6H,5H2,1-4H3,(H,12,16);2-6H2,1H3,(H2,8,9)
InChIKeyBQQHORVDMCKLJS-UHFFFAOYSA-N
MW609.72 g/mol
LogP2.26
Rot. Bonds7

About bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide

bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide (PubChem CID 157431929) has the molecular formula C29H47N5O9 and a molecular weight of 609.72 g/mol. Its IUPAC name is bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide.

Molecular Properties

Compound Namebis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide
PubChem CID157431929
Molecular FormulaC29H47N5O9
Molecular Weight609.72 g/mol
Exact Mass609.34
IUPAC Namebis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide
SMILESCC1(C)CC(N2C(=O)NC(C)(C)C2=O)C(=O)O1.CC1(C)CC(N2C(=O)NC(C)(C)C2=O)C(=O)O1.CCCCCCC(N)=O
InChIInChI=1S/2C11H16N2O4.C7H15NO/c2*1-10(2)5-6(7(14)17-10)13-8(15)11(3,4)12-9(13)16;1-2-3-4-5-6-7(8)9/h2*6H,5H2,1-4H3,(H,12,16);2-6H2,1H3,(H2,8,9)
InChIKeyBQQHORVDMCKLJS-UHFFFAOYSA-N
XLogP2.26
TPSA194.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.72
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide?
The IUPAC name of bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide (CID 157431929) is bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide.
What is the SMILES notation for bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide?
The canonical SMILES for bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide is CC1(C)CC(N2C(=O)NC(C)(C)C2=O)C(=O)O1.CC1(C)CC(N2C(=O)NC(C)(C)C2=O)C(=O)O1.CCCCCCC(N)=O.
What is the InChIKey of bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide?
The InChIKey is BQQHORVDMCKLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16N2O4.C7H15NO/c2*1-10(2)5-6(7(14)17-10)13-8(15)11(3,4)12-9(13)16;1-2-3-4-5-6-7(8)9/h2*6H,5H2,1-4H3,(H,12,16);2-6H2,1H3,(H2,8,9).
What are the key properties of bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide?
bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide has a molecular weight of 609.72 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(5,5-dimethyl-2-oxooxolan-3-yl)-5,5-dimethylimidazolidine-2,4-dione);heptanamide is sourced from PubChem (CID 157431929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).