2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

C24H20N2O4 — CID 1331226

IUPAC2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C24H20N2O4/c1-15-7-5-8-16(2)22(15)29-14-21(27)25-18-10-6-9-17(13-18)23-26-20-12-4-3-11-19(20)24(28)30-23/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXBQXWWSOPVDXML-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.49
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 1331226) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID1331226
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C24H20N2O4/c1-15-7-5-8-16(2)22(15)29-14-21(27)25-18-10-6-9-17(13-18)23-26-20-12-4-3-11-19(20)24(28)30-23/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXBQXWWSOPVDXML-UHFFFAOYSA-N
XLogP4.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359646
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide
CID 17359643
2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 2996600
2-(4-nitrophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359672
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 1364193
[4-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]phenyl] propanoate
CID 17359655
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 5229076
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 1331226) is 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is XBQXWWSOPVDXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-7-5-8-16(2)22(15)29-14-21(27)25-18-10-6-9-17(13-18)23-26-20-12-4-3-11-19(20)24(28)30-23/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 400.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 1331226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).