N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide

C15H17N3O4 — CID 110793064

IUPACN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCOc2ccc(NC(=O)C3CCC(=O)N3)cc21
InChIInChI=1S/C15H17N3O4/c1-18-11-8-9(2-4-12(11)22-7-6-14(18)20)16-15(21)10-3-5-13(19)17-10/h2,4,8,10H,3,5-7H2,1H3,(H,16,21)(H,17,19)
InChIKeyJZKHHLURFWIWBH-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.65
Rot. Bonds2

About N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110793064) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110793064
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCOc2ccc(NC(=O)C3CCC(=O)N3)cc21
InChIInChI=1S/C15H17N3O4/c1-18-11-8-9(2-4-12(11)22-7-6-14(18)20)16-15(21)10-3-5-13(19)17-10/h2,4,8,10H,3,5-7H2,1H3,(H,16,21)(H,17,19)
InChIKeyJZKHHLURFWIWBH-UHFFFAOYSA-N
XLogP0.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343
5-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110793066
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
CID 110778369
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778376
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
CID 119889210
N-(1-methylindazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110462131

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide (CID 110793064) is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCOc2ccc(NC(=O)C3CCC(=O)N3)cc21.
What is the InChIKey of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JZKHHLURFWIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18-11-8-9(2-4-12(11)22-7-6-14(18)20)16-15(21)10-3-5-13(19)17-10/h2,4,8,10H,3,5-7H2,1H3,(H,16,21)(H,17,19).
What are the key properties of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide?
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110793064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).