N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane

C32H44N2O7 — CID 143558986

About N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane

N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane (PubChem CID 143558986) has the molecular formula C32H44N2O7 and a molecular weight of 568.71 g/mol. Its IUPAC name is N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane
• PubChem CID: 143558986
• Molecular Formula: C32H44N2O7
• Molecular Weight: 568.71 g/mol
• Exact Mass: 568.31
• IUPAC Name: N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane
• SMILES: CC.COc1cc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4CC3COC(C)(C)O3)CC2)ccc1OC(O)O
• InChI: InChI=1S/C30H38N2O7.C2H6/c1-28(2,3)25-14-18-13-20(8-9-22(18)32(25)16-21-17-37-29(4,5)39-21)31-26(33)30(11-12-30)19-7-10-23(38-27(34)35)24(15-19)36-6;1-2/h7-10,13-15,21,27,34-35H,11-12,16-17H2,1-6H3,(H,31,33);1-2H3
• InChIKey: RYVVBBGKGMEPKH-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 111.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.71
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane?

The IUPAC name of N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane (CID 143558986) is N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane.

What is the SMILES notation for N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane?

The canonical SMILES for N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane is CC.COc1cc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4CC3COC(C)(C)O3)CC2)ccc1OC(O)O.

What is the InChIKey of N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane?

The InChIKey is RYVVBBGKGMEPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O7.C2H6/c1-28(2,3)25-14-18-13-20(8-9-22(18)32(25)16-21-17-37-29(4,5)39-21)31-26(33)30(11-12-30)19-7-10-23(38-27(34)35)24(15-19)36-6;1-2/h7-10,13-15,21,27,34-35H,11-12,16-17H2,1-6H3,(H,31,33);1-2H3.

What are the key properties of N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane?

N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane has a molecular weight of 568.71 g/mol, XLogP of 5.44, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-tert-butyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-5-yl]-1-[4-(dihydroxymethoxy)-3-methoxyphenyl]cyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 143558986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).