1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone

C16H22N2O3 — CID 82260983

IUPAC1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone
SMILESCCC1CNc2cc(C(=O)CN3CCOCC3)ccc2O1
InChIInChI=1S/C16H22N2O3/c1-2-13-10-17-14-9-12(3-4-16(14)21-13)15(19)11-18-5-7-20-8-6-18/h3-4,9,13,17H,2,5-8,10-11H2,1H3
InChIKeyMWXCNACSAUNSJC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone

1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone (PubChem CID 82260983) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone
PubChem CID82260983
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone
SMILESCCC1CNc2cc(C(=O)CN3CCOCC3)ccc2O1
InChIInChI=1S/C16H22N2O3/c1-2-13-10-17-14-9-12(3-4-16(14)21-13)15(19)11-18-5-7-20-8-6-18/h3-4,9,13,17H,2,5-8,10-11H2,1H3
InChIKeyMWXCNACSAUNSJC-UHFFFAOYSA-N
XLogP1.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[[2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]acetic acid
CID 82261894
2-[[2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]propanoic acid
CID 82261895
(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone
CID 82341426
2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261703
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82260944
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylethanone
CID 82050767
2-[2-(dimethylamino)ethylamino]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261920
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 82050758
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82260997
1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82354854
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone (CID 82260983) is 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone is CCC1CNc2cc(C(=O)CN3CCOCC3)ccc2O1.
What is the InChIKey of 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone?
The InChIKey is MWXCNACSAUNSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13-10-17-14-9-12(3-4-16(14)21-13)15(19)11-18-5-7-20-8-6-18/h3-4,9,13,17H,2,5-8,10-11H2,1H3.
What are the key properties of 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone?
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone has a molecular weight of 290.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 82260983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).