4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one

C16H24N2O3 — CID 82162341

IUPAC4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2ccc(O)cc2N(CCN(C)C)C1=O
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2)15(20)18(10-9-17(3)4)13-11-12(19)7-8-14(13)21-16/h7-8,11,19H,5-6,9-10H2,1-4H3
InChIKeyDFEWYQLDLJARIT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.24
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one

4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one (PubChem CID 82162341) 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-6-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one
PubChem CID82162341
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2ccc(O)cc2N(CCN(C)C)C1=O
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2)15(20)18(10-9-17(3)4)13-11-12(19)7-8-14(13)21-16/h7-8,11,19H,5-6,9-10H2,1-4H3
InChIKeyDFEWYQLDLJARIT-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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Related Compounds

4-[2-(dimethylamino)ethyl]-2,2-diethyl-7-hydroxy-1,4-benzoxazin-3-one
CID 82162409
4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82063544
2-(2,2-diethyl-6-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 82162315
2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82162333
4-(2-aminobutyl)-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82162660
4-[2-(dimethylamino)ethyl]-7-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82063735
6-acetyl-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28816425
2,2-diethyl-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82162170
6-(2-chloroacetyl)-2,2-diethyl-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82162474
6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82025883
methyl 4-(6-amino-2,2-diethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 94777298
4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one
CID 82162476

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one (CID 82162341) is 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one is CCC1(CC)Oc2ccc(O)cc2N(CCN(C)C)C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is DFEWYQLDLJARIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-16(6-2)15(20)18(10-9-17(3)4)13-11-12(19)7-8-14(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-6-hydroxy-1,4-benzoxazin-3-one?
4-[2-(dimethylamino)ethyl]-2,2-diethyl-6-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-6-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 82162341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).