1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane

C50H57N3O6 — CID 161035427

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane (PubChem CID 161035427) has the molecular formula C50H57N3O6 and a molecular weight of 796.02 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane
• PubChem CID: 161035427
• Molecular Formula: C50H57N3O6
• Molecular Weight: 796.02 g/mol
• Exact Mass: 795.42
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane
• SMILES: C.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)cc(C(C)(C)C)n2C
• InChI: InChI=1S/C25H28N2O3.C24H25NO3.CH4/c1-24(2,3)22-13-16-12-18(7-8-19(16)27(22)5)26(4)23(28)25(10-11-25)17-6-9-20-21(14-17)30-15-29-20;1-23(2,3)21-12-16-10-15(4-6-18(16)25-21)11-22(26)24(8-9-24)17-5-7-19-20(13-17)28-14-27-19;/h6-9,12-14H,10-11,15H2,1-5H3;4-7,10,12-13,25H,8-9,11,14H2,1-3H3;1H4
• InChIKey: UAEODTUETNCMQH-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 95.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.02
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane (CID 161035427) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane is C.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)cc(C(C)(C)C)n2C.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane?

The InChIKey is UAEODTUETNCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3.C24H25NO3.CH4/c1-24(2,3)22-13-16-12-18(7-8-19(16)27(22)5)26(4)23(28)25(10-11-25)17-6-9-20-21(14-17)30-15-29-20;1-23(2,3)21-12-16-10-15(4-6-18(16)25-21)11-22(26)24(8-9-24)17-5-7-19-20(13-17)28-14-27-19;/h6-9,12-14H,10-11,15H2,1-5H3;4-7,10,12-13,25H,8-9,11,14H2,1-3H3;1H4.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane has a molecular weight of 796.02 g/mol, XLogP of 10.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;methane is sourced from PubChem (CID 161035427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).