2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide

C19H23N3O2 — CID 45165932

IUPAC2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC1CN(CC(=O)NCCc2ccncc2)Cc2ccccc2O1
InChIInChI=1S/C19H23N3O2/c1-15-12-22(13-17-4-2-3-5-18(17)24-15)14-19(23)21-11-8-16-6-9-20-10-7-16/h2-7,9-10,15H,8,11-14H2,1H3,(H,21,23)
InChIKeyDRYVEISYFFMIFT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.02
Rot. Bonds5

About 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide

2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 45165932) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID45165932
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC1CN(CC(=O)NCCc2ccncc2)Cc2ccccc2O1
InChIInChI=1S/C19H23N3O2/c1-15-12-22(13-17-4-2-3-5-18(17)24-15)14-19(23)21-11-8-16-6-9-20-10-7-16/h2-7,9-10,15H,8,11-14H2,1H3,(H,21,23)
InChIKeyDRYVEISYFFMIFT-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide (CID 45165932) is 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide is CC1CN(CC(=O)NCCc2ccncc2)Cc2ccccc2O1.
What is the InChIKey of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is DRYVEISYFFMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-12-22(13-17-4-2-3-5-18(17)24-15)14-19(23)21-11-8-16-6-9-20-10-7-16/h2-7,9-10,15H,8,11-14H2,1H3,(H,21,23).
What are the key properties of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 45165932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).