3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione

C18H17NO2 — CID 44626901

IUPAC3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione
SMILESCCC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO2/c1-2-18(13-14-9-5-3-6-10-14)16(20)19(17(18)21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyFWZVCEYFFJOHOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.20
Rot. Bonds4

About 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione

3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione (PubChem CID 44626901) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione
PubChem CID44626901
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione
SMILESCCC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO2/c1-2-18(13-14-9-5-3-6-10-14)16(20)19(17(18)21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyFWZVCEYFFJOHOK-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzyl-3-ethyl-1-phenylazetidine-2,4-dione?
The IUPAC name of 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione (CID 44626901) is 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione.
What is the SMILES notation for 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione?
The canonical SMILES for 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione is CCC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione?
The InChIKey is FWZVCEYFFJOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-18(13-14-9-5-3-6-10-14)16(20)19(17(18)21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione?
3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-ethyl-1-phenylazetidine-2,4-dione is sourced from PubChem (CID 44626901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).