3-[bis(3-methylbutyl)amino]oxolane-2,5-dione

C14H25NO3 — CID 88827191

IUPAC3-[bis(3-methylbutyl)amino]oxolane-2,5-dione
SMILESCC(C)CCN(CCC(C)C)C1CC(=O)OC1=O
InChIInChI=1S/C14H25NO3/c1-10(2)5-7-15(8-6-11(3)4)12-9-13(16)18-14(12)17/h10-12H,5-9H2,1-4H3
InChIKeyVFOOPAWQXZMJSN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds7

About 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione

3-[bis(3-methylbutyl)amino]oxolane-2,5-dione (PubChem CID 88827191) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)amino]oxolane-2,5-dione
PubChem CID88827191
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[bis(3-methylbutyl)amino]oxolane-2,5-dione
SMILESCC(C)CCN(CCC(C)C)C1CC(=O)OC1=O
InChIInChI=1S/C14H25NO3/c1-10(2)5-7-15(8-6-11(3)4)12-9-13(16)18-14(12)17/h10-12H,5-9H2,1-4H3
InChIKeyVFOOPAWQXZMJSN-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione?
The IUPAC name of 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione (CID 88827191) is 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione.
What is the SMILES notation for 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione?
The canonical SMILES for 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione is CC(C)CCN(CCC(C)C)C1CC(=O)OC1=O.
What is the InChIKey of 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione?
The InChIKey is VFOOPAWQXZMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)5-7-15(8-6-11(3)4)12-9-13(16)18-14(12)17/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione?
3-[bis(3-methylbutyl)amino]oxolane-2,5-dione has a molecular weight of 255.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)amino]oxolane-2,5-dione is sourced from PubChem (CID 88827191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).