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

C20H26N2O5 — CID 1445566

IUPACethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C20H26N2O5/c1-4-26-18(24)14-8-9-16-15(12-14)22(19(25)20(2,3)27-16)13-17(23)21-10-6-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeyFHBNKISCCZQPPO-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.38
Rot. Bonds4

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

ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate (PubChem CID 1445566) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate
PubChem CID1445566
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C20H26N2O5/c1-4-26-18(24)14-8-9-16-15(12-14)22(19(25)20(2,3)27-16)13-17(23)21-10-6-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeyFHBNKISCCZQPPO-UHFFFAOYSA-N
XLogP2.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.38
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-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate (CID 1445566) is ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate is CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2.
What is the InChIKey of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
The InChIKey is FHBNKISCCZQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-4-26-18(24)14-8-9-16-15(12-14)22(19(25)20(2,3)27-16)13-17(23)21-10-6-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate?
ethyl 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.38, 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-piperidin-1-ylethyl)-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 1445566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).