N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide

C33H35N3O2 — CID 4637578

About N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide

N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide (PubChem CID 4637578) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
• PubChem CID: 4637578
• Molecular Formula: C33H35N3O2
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.27
• IUPAC Name: N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
• SMILES: Cc1ccc(-c2c(C3c4ccccc4C(=O)N3C(C)C(=O)NC3CCCCC3)c3ccccc3n2C)cc1
• InChI: InChI=1S/C33H35N3O2/c1-21-17-19-23(20-18-21)30-29(27-15-9-10-16-28(27)35(30)3)31-25-13-7-8-14-26(25)33(38)36(31)22(2)32(37)34-24-11-5-4-6-12-24/h7-10,13-20,22,24,31H,4-6,11-12H2,1-3H3,(H,34,37)
• InChIKey: ACBVEWOZUTVRKF-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide?

The IUPAC name of N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide (CID 4637578) is N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide.

What is the SMILES notation for N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide?

The canonical SMILES for N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide is Cc1ccc(-c2c(C3c4ccccc4C(=O)N3C(C)C(=O)NC3CCCCC3)c3ccccc3n2C)cc1.

What is the InChIKey of N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide?

The InChIKey is ACBVEWOZUTVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-21-17-19-23(20-18-21)30-29(27-15-9-10-16-28(27)35(30)3)31-25-13-7-8-14-26(25)33(38)36(31)22(2)32(37)34-24-11-5-4-6-12-24/h7-10,13-20,22,24,31H,4-6,11-12H2,1-3H3,(H,34,37).

What are the key properties of N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide?

N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide has a molecular weight of 505.66 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide is sourced from PubChem (CID 4637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).