N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide

C31H32N4O4 — CID 142473423

About N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide

N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide (PubChem CID 142473423) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
• PubChem CID: 142473423
• Molecular Formula: C31H32N4O4
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.24
• IUPAC Name: N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
• SMILES: CC(=O)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
• InChI: InChI=1S/C31H32N4O4/c1-19(36)24-9-6-5-8-21(24)17-35(29(39)30(2,3)4)18-26(37)33-23-12-11-20-15-31(16-22(20)14-23)25-10-7-13-32-27(25)34-28(31)38/h5-14H,15-18H2,1-4H3,(H,33,37)(H,32,34,38)
• InChIKey: VSWZEIJORMBYKA-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?

The IUPAC name of N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide (CID 142473423) is N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide.

What is the SMILES notation for N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?

The canonical SMILES for N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide is CC(=O)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C.

What is the InChIKey of N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?

The InChIKey is VSWZEIJORMBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-19(36)24-9-6-5-8-21(24)17-35(29(39)30(2,3)4)18-26(37)33-23-12-11-20-15-31(16-22(20)14-23)25-10-7-13-32-27(25)34-28(31)38/h5-14H,15-18H2,1-4H3,(H,33,37)(H,32,34,38).

What are the key properties of N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?

N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide has a molecular weight of 524.62 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide is sourced from PubChem (CID 142473423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).