N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide

C32H34N2O3 — CID 59066187

About N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide

N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide (PubChem CID 59066187) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide
• PubChem CID: 59066187
• Molecular Formula: C32H34N2O3
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.26
• IUPAC Name: N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide
• SMILES: COc1cccc(Cn2c(C(C)=O)c(-c3ccc(C(C)(C)C)cc3)c3cccc(NC(=O)C4CC4)c32)c1
• InChI: InChI=1S/C32H34N2O3/c1-20(35)29-28(22-14-16-24(17-15-22)32(2,3)4)26-10-7-11-27(33-31(36)23-12-13-23)30(26)34(29)19-21-8-6-9-25(18-21)37-5/h6-11,14-18,23H,12-13,19H2,1-5H3,(H,33,36)
• InChIKey: MNTATEDGZSWECU-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide (CID 59066187) is N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide is COc1cccc(Cn2c(C(C)=O)c(-c3ccc(C(C)(C)C)cc3)c3cccc(NC(=O)C4CC4)c32)c1.

What is the InChIKey of N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide?

The InChIKey is MNTATEDGZSWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-20(35)29-28(22-14-16-24(17-15-22)32(2,3)4)26-10-7-11-27(33-31(36)23-12-13-23)30(26)34(29)19-21-8-6-9-25(18-21)37-5/h6-11,14-18,23H,12-13,19H2,1-5H3,(H,33,36).

What are the key properties of N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide?

N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide has a molecular weight of 494.64 g/mol, XLogP of 7.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-acetyl-3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]indol-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59066187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).