4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one

C16H24N2O3 — CID 82162409

IUPAC4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cc(O)ccc2N(CCN(C)C)C1=O
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2)15(20)18(10-9-17(3)4)13-8-7-12(19)11-14(13)21-16/h7-8,11,19H,5-6,9-10H2,1-4H3
InChIKeyYYAZFSJLYKCWMW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.24
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one

4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one (PubChem CID 82162409) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one
PubChem CID82162409
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cc(O)ccc2N(CCN(C)C)C1=O
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2)15(20)18(10-9-17(3)4)13-8-7-12(19)11-14(13)21-16/h7-8,11,19H,5-6,9-10H2,1-4H3
InChIKeyYYAZFSJLYKCWMW-UHFFFAOYSA-N
XLogP2.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one (CID 82162409) is 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one is CCC1(CC)Oc2cc(O)ccc2N(CCN(C)C)C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is YYAZFSJLYKCWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-16(6-2)15(20)18(10-9-17(3)4)13-8-7-12(19)11-14(13)21-16/h7-8,11,19H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one?
4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 82162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).