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

C14H20N2O3 — CID 82063544

IUPAC4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCN(C)CCN1C(=O)C(C)(C)Oc2ccc(O)cc21
InChIInChI=1S/C14H20N2O3/c1-14(2)13(18)16(8-7-15(3)4)11-9-10(17)5-6-12(11)19-14/h5-6,9,17H,7-8H2,1-4H3
InChIKeyRWPZEGFCPNGWQW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds3

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

4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one (PubChem CID 82063544) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
PubChem CID82063544
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCN(C)CCN1C(=O)C(C)(C)Oc2ccc(O)cc21
InChIInChI=1S/C14H20N2O3/c1-14(2)13(18)16(8-7-15(3)4)11-9-10(17)5-6-12(11)19-14/h5-6,9,17H,7-8H2,1-4H3
InChIKeyRWPZEGFCPNGWQW-UHFFFAOYSA-N
XLogP1.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
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]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one (CID 82063544) is 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one is CN(C)CCN1C(=O)C(C)(C)Oc2ccc(O)cc21.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is RWPZEGFCPNGWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)13(18)16(8-7-15(3)4)11-9-10(17)5-6-12(11)19-14/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one?
4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 264.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82063544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).