1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione

C16H20N2O4 — CID 22752336

IUPAC1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)NC(CN1C(=O)CCC1=O)C(C)(C)O2
InChIInChI=1S/C16H20N2O4/c1-16(2)13(9-18-14(19)6-7-15(18)20)17-11-8-10(21-3)4-5-12(11)22-16/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyVGLSVEBDXPECRP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.80
Rot. Bonds3

About 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione

1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 22752336) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione
PubChem CID22752336
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)NC(CN1C(=O)CCC1=O)C(C)(C)O2
InChIInChI=1S/C16H20N2O4/c1-16(2)13(9-18-14(19)6-7-15(18)20)17-11-8-10(21-3)4-5-12(11)22-16/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyVGLSVEBDXPECRP-UHFFFAOYSA-N
XLogP1.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione (CID 22752336) is 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1)NC(CN1C(=O)CCC1=O)C(C)(C)O2.
What is the InChIKey of 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is VGLSVEBDXPECRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2)13(9-18-14(19)6-7-15(18)20)17-11-8-10(21-3)4-5-12(11)22-16/h4-5,8,13,17H,6-7,9H2,1-3H3.
What are the key properties of 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione?
1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-3-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).