4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one

C17H22N2O4 — CID 3224993

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H22N2O4/c1-12(2)16-17(21)19(13-5-3-4-6-14(13)23-16)11-15(20)18-7-9-22-10-8-18/h3-6,12,16H,7-11H2,1-2H3
InChIKeyXXFBMUVWWVBVBI-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.30
Rot. Bonds3

About 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one

4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 3224993) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID3224993
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H22N2O4/c1-12(2)16-17(21)19(13-5-3-4-6-14(13)23-16)11-15(20)18-7-9-22-10-8-18/h3-6,12,16H,7-11H2,1-2H3
InChIKeyXXFBMUVWWVBVBI-UHFFFAOYSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one (CID 3224993) is 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one is CC(C)C1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is XXFBMUVWWVBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(2)16-17(21)19(13-5-3-4-6-14(13)23-16)11-15(20)18-7-9-22-10-8-18/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one?
4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 318.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 3224993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).