N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide

C23H21N3O3 — CID 20908990

IUPACN-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccnc1O2
InChIInChI=1S/C23H21N3O3/c1-14-9-10-20-19(12-14)26(23(28)17-7-5-11-24-22(17)29-20)13-21(27)25-18-8-4-6-15(2)16(18)3/h4-12H,13H2,1-3H3,(H,25,27)
InChIKeyAHQVENJEEONPMY-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.40
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide

N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide (PubChem CID 20908990) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
PubChem CID20908990
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccnc1O2
InChIInChI=1S/C23H21N3O3/c1-14-9-10-20-19(12-14)26(23(28)17-7-5-11-24-22(17)29-20)13-21(27)25-18-8-4-6-15(2)16(18)3/h4-12H,13H2,1-3H3,(H,25,27)
InChIKeyAHQVENJEEONPMY-UHFFFAOYSA-N
XLogP4.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide (CID 20908990) is N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide is Cc1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccnc1O2.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The InChIKey is AHQVENJEEONPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-9-10-20-19(12-14)26(23(28)17-7-5-11-24-22(17)29-20)13-21(27)25-18-8-4-6-15(2)16(18)3/h4-12H,13H2,1-3H3,(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide is sourced from PubChem (CID 20908990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).