N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide

C26H32N2O4 — CID 4874241

About N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide

N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 4874241) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide
• PubChem CID: 4874241
• Molecular Formula: C26H32N2O4
• Molecular Weight: 436.55 g/mol
• Exact Mass: 436.24
• IUPAC Name: N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide
• SMILES: COc1cc(C(=O)NCCC2C(c3c(C)[nH]c4ccccc34)C2(C)C)cc(OC)c1OC
• InChI: InChI=1S/C26H32N2O4/c1-15-22(17-9-7-8-10-19(17)28-15)23-18(26(23,2)3)11-12-27-25(29)16-13-20(30-4)24(32-6)21(14-16)31-5/h7-10,13-14,18,23,28H,11-12H2,1-6H3,(H,27,29)
• InChIKey: CBTYLGPNCJDTLV-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 72.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.55
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide?

The IUPAC name of N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide (CID 4874241) is N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide.

What is the SMILES notation for N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide?

The canonical SMILES for N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCC2C(c3c(C)[nH]c4ccccc34)C2(C)C)cc(OC)c1OC.

What is the InChIKey of N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide?

The InChIKey is CBTYLGPNCJDTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-15-22(17-9-7-8-10-19(17)28-15)23-18(26(23,2)3)11-12-27-25(29)16-13-20(30-4)24(32-6)21(14-16)31-5/h7-10,13-14,18,23,28H,11-12H2,1-6H3,(H,27,29).

What are the key properties of N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide?

N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 436.55 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4874241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).