N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H22N2O5 — CID 645202

IUPACN-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C20H22N2O5/c1-4-16-20(24)22(15-7-5-6-8-17(15)27-16)12-19(23)21-14-10-9-13(25-2)11-18(14)26-3/h5-11,16H,4,12H2,1-3H3,(H,21,23)
InChIKeyKEGWPWFYKXQYCG-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.85
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 645202) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID645202
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C20H22N2O5/c1-4-16-20(24)22(15-7-5-6-8-17(15)27-16)12-19(23)21-14-10-9-13(25-2)11-18(14)26-3/h5-11,16H,4,12H2,1-3H3,(H,21,23)
InChIKeyKEGWPWFYKXQYCG-UHFFFAOYSA-N
XLogP2.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 645202) is N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is KEGWPWFYKXQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-4-16-20(24)22(15-7-5-6-8-17(15)27-16)12-19(23)21-14-10-9-13(25-2)11-18(14)26-3/h5-11,16H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 645202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).