ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate

C19H24N2O5 — CID 649631

IUPACethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C19H24N2O5/c1-4-25-17(23)13-7-8-15-14(11-13)21(18(24)19(2,3)26-15)12-16(22)20-9-5-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeySCGOKQHUDIRMPA-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.99
Rot. Bonds4

About ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate

ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate (PubChem CID 649631) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate
PubChem CID649631
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C19H24N2O5/c1-4-25-17(23)13-7-8-15-14(11-13)21(18(24)19(2,3)26-15)12-16(22)20-9-5-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeySCGOKQHUDIRMPA-UHFFFAOYSA-N
XLogP1.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate (CID 649631) is ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate is CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)(C)O2.
What is the InChIKey of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
The InChIKey is SCGOKQHUDIRMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-25-17(23)13-7-8-15-14(11-13)21(18(24)19(2,3)26-15)12-16(22)20-9-5-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 649631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).