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

C16H20N2O4 — CID 3155020

IUPAC2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O4/c1-2-13-16(20)18(12-5-3-4-6-14(12)22-13)11-15(19)17-7-9-21-10-8-17/h3-6,13H,2,7-11H2,1H3
InChIKeyBPTVHLNLEXMJPQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.05
Rot. Bonds3

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

2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (PubChem CID 3155020) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
PubChem CID3155020
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O4/c1-2-13-16(20)18(12-5-3-4-6-14(12)22-13)11-15(19)17-7-9-21-10-8-17/h3-6,13H,2,7-11H2,1H3
InChIKeyBPTVHLNLEXMJPQ-UHFFFAOYSA-N
XLogP1.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (CID 3155020) is 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is CCC1Oc2ccccc2N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The InChIKey is BPTVHLNLEXMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-13-16(20)18(12-5-3-4-6-14(12)22-13)11-15(19)17-7-9-21-10-8-17/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one has a molecular weight of 304.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 3155020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).