N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide

C23H25N3O3 — CID 166398560

IUPACN-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)N2CCC3(Cc4ccccc4C3)C2)COc2ccccc21
InChIInChI=1S/C23H25N3O3/c1-25-19-8-4-5-9-20(19)29-14-18(21(25)27)24-22(28)26-11-10-23(15-26)12-16-6-2-3-7-17(16)13-23/h2-9,18H,10-15H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyCXEUDALASCGIJO-SFHVURJKSA-N
MW391.47 g/mol
LogP2.61
Rot. Bonds1

About N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide

N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 166398560) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID166398560
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)N2CCC3(Cc4ccccc4C3)C2)COc2ccccc21
InChIInChI=1S/C23H25N3O3/c1-25-19-8-4-5-9-20(19)29-14-18(21(25)27)24-22(28)26-11-10-23(15-26)12-16-6-2-3-7-17(16)13-23/h2-9,18H,10-15H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyCXEUDALASCGIJO-SFHVURJKSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide (CID 166398560) is N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide is CN1C(=O)[C@@H](NC(=O)N2CCC3(Cc4ccccc4C3)C2)COc2ccccc21.
What is the InChIKey of N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is CXEUDALASCGIJO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25-19-8-4-5-9-20(19)29-14-18(21(25)27)24-22(28)26-11-10-23(15-26)12-16-6-2-3-7-17(16)13-23/h2-9,18H,10-15H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide?
N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 166398560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).