1,3-diheptyl-1,3-diazetidine-2,4-dione

C16H30N2O2 — CID 18730690

IUPAC1,3-diheptyl-1,3-diazetidine-2,4-dione
SMILESCCCCCCCN1C(=O)N(CCCCCCC)C1=O
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-11-13-17-15(19)18(16(17)20)14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyLEHPUZFVDHIRTC-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.78
Rot. Bonds12

About 1,3-diheptyl-1,3-diazetidine-2,4-dione

1,3-diheptyl-1,3-diazetidine-2,4-dione (PubChem CID 18730690) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,3-diheptyl-1,3-diazetidine-2,4-dione.

Molecular Properties

Compound Name1,3-diheptyl-1,3-diazetidine-2,4-dione
PubChem CID18730690
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1,3-diheptyl-1,3-diazetidine-2,4-dione
SMILESCCCCCCCN1C(=O)N(CCCCCCC)C1=O
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-11-13-17-15(19)18(16(17)20)14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyLEHPUZFVDHIRTC-UHFFFAOYSA-N
XLogP4.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-pentylazetidine-2,4-dione
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(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
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4-octylmorpholine-3,5-dione
CID 70621864
1,3-dioctylimidazolidin-2-one
CID 19987667
1-dodecyl-3,3-dimethyl-4-methylideneazetidin-2-one
CID 102412122
1-dodecyl-5-sulfanylidenepyrrolidin-2-one
CID 86249937
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 121221286
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Frequently Asked Questions

What is the IUPAC name of 1,3-diheptyl-1,3-diazetidine-2,4-dione?
The IUPAC name of 1,3-diheptyl-1,3-diazetidine-2,4-dione (CID 18730690) is 1,3-diheptyl-1,3-diazetidine-2,4-dione.
What is the SMILES notation for 1,3-diheptyl-1,3-diazetidine-2,4-dione?
The canonical SMILES for 1,3-diheptyl-1,3-diazetidine-2,4-dione is CCCCCCCN1C(=O)N(CCCCCCC)C1=O.
What is the InChIKey of 1,3-diheptyl-1,3-diazetidine-2,4-dione?
The InChIKey is LEHPUZFVDHIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-7-9-11-13-17-15(19)18(16(17)20)14-12-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1,3-diheptyl-1,3-diazetidine-2,4-dione?
1,3-diheptyl-1,3-diazetidine-2,4-dione has a molecular weight of 282.43 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diheptyl-1,3-diazetidine-2,4-dione is sourced from PubChem (CID 18730690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).