N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

C21H24N2O4 — CID 24551163

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SMILESCc1ccc(OCCN(C)C(=O)CN2C(=O)CCOc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-16-7-9-17(10-8-16)26-14-12-22(2)21(25)15-23-18-5-3-4-6-19(18)27-13-11-20(23)24/h3-10H,11-15H2,1-2H3
InChIKeyFZIHXMCIRMKQKZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide (PubChem CID 24551163) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
PubChem CID24551163
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SMILESCc1ccc(OCCN(C)C(=O)CN2C(=O)CCOc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-16-7-9-17(10-8-16)26-14-12-22(2)21(25)15-23-18-5-3-4-6-19(18)27-13-11-20(23)24/h3-10H,11-15H2,1-2H3
InChIKeyFZIHXMCIRMKQKZ-UHFFFAOYSA-N
XLogP2.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide (CID 24551163) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide is Cc1ccc(OCCN(C)C(=O)CN2C(=O)CCOc3ccccc32)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The InChIKey is FZIHXMCIRMKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-7-9-17(10-8-16)26-14-12-22(2)21(25)15-23-18-5-3-4-6-19(18)27-13-11-20(23)24/h3-10H,11-15H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide is sourced from PubChem (CID 24551163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).