7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one

C16H21N3O4 — CID 28815945

IUPAC7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2cc(N)ccc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C16H21N3O4/c1-16(2)15(21)19(10-14(20)18-5-7-22-8-6-18)12-4-3-11(17)9-13(12)23-16/h3-4,9H,5-8,10,17H2,1-2H3
InChIKeyANRUIKXVAFCTKO-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.63
Rot. Bonds2

About 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one

7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (PubChem CID 28815945) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
PubChem CID28815945
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2cc(N)ccc2N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C16H21N3O4/c1-16(2)15(21)19(10-14(20)18-5-7-22-8-6-18)12-4-3-11(17)9-13(12)23-16/h3-4,9H,5-8,10,17H2,1-2H3
InChIKeyANRUIKXVAFCTKO-UHFFFAOYSA-N
XLogP0.63
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide
CID 28815943
7-amino-2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 28815914
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 28815931
2-(7-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 82063704
6-(azepane-1-carbonyl)-2,2-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 1450861
7-amino-4-[(4-chlorophenyl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28815928
N-(4-cyclohexylphenyl)-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222966
6-butanoyl-2,2-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 28816416
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
N-cyclopropyl-2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxamide
CID 3223005
7-amino-2,2-dimethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one
CID 28815908
(2E)-6-amino-2-benzylidene-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 28863078

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (CID 28815945) is 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is CC1(C)Oc2cc(N)ccc2N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The InChIKey is ANRUIKXVAFCTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2)15(21)19(10-14(20)18-5-7-22-8-6-18)12-4-3-11(17)9-13(12)23-16/h3-4,9H,5-8,10,17H2,1-2H3.
What are the key properties of 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one has a molecular weight of 319.36 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 28815945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).