3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione

C19H19NO3 — CID 52942874

IUPAC3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione
SMILESCc1ccc2c(=O)n(-c3ccc(C(C)(C)C)cc3)c(=O)oc2c1
InChIInChI=1S/C19H19NO3/c1-12-5-10-15-16(11-12)23-18(22)20(17(15)21)14-8-6-13(7-9-14)19(2,3)4/h5-11H,1-4H3
InChIKeyZRIQQXUUGKGYFM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.55
Rot. Bonds1

About 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione

3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione (PubChem CID 52942874) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione
PubChem CID52942874
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione
SMILESCc1ccc2c(=O)n(-c3ccc(C(C)(C)C)cc3)c(=O)oc2c1
InChIInChI=1S/C19H19NO3/c1-12-5-10-15-16(11-12)23-18(22)20(17(15)21)14-8-6-13(7-9-14)19(2,3)4/h5-11H,1-4H3
InChIKeyZRIQQXUUGKGYFM-UHFFFAOYSA-N
XLogP3.55
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione (CID 52942874) is 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione is Cc1ccc2c(=O)n(-c3ccc(C(C)(C)C)cc3)c(=O)oc2c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione?
The InChIKey is ZRIQQXUUGKGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-5-10-15-16(11-12)23-18(22)20(17(15)21)14-8-6-13(7-9-14)19(2,3)4/h5-11H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione?
3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 52942874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).