1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione

C23H19NO3 — CID 155926240

IUPAC1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2
InChIKeyCTZDUEYGPXHGCI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.18
Rot. Bonds5

About 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione

1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione (PubChem CID 155926240) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione
PubChem CID155926240
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2
InChIKeyCTZDUEYGPXHGCI-UHFFFAOYSA-N
XLogP4.18
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione (CID 155926240) is 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?
The InChIKey is CTZDUEYGPXHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2.
What are the key properties of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?
1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 155926240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).