propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate

C26H31NO6 — CID 71279372

About propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate

propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate (PubChem CID 71279372) has the molecular formula C26H31NO6 and a molecular weight of 453.54 g/mol. Its IUPAC name is propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate
• PubChem CID: 71279372
• Molecular Formula: C26H31NO6
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.22
• IUPAC Name: propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate
• SMILES: COc1ccc(-c2cccc3c2CCC3=O)c(OCC(NC(=O)OC(C)C)C2CC2)c1OC
• InChI: InChI=1S/C26H31NO6/c1-15(2)33-26(29)27-21(16-8-9-16)14-32-24-20(11-13-23(30-3)25(24)31-4)17-6-5-7-19-18(17)10-12-22(19)28/h5-7,11,13,15-16,21H,8-10,12,14H2,1-4H3,(H,27,29)
• InChIKey: VEFSMOWOFGLCHF-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?

The IUPAC name of propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate (CID 71279372) is propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate.

What is the SMILES notation for propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?

The canonical SMILES for propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate is COc1ccc(-c2cccc3c2CCC3=O)c(OCC(NC(=O)OC(C)C)C2CC2)c1OC.

What is the InChIKey of propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?

The InChIKey is VEFSMOWOFGLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6/c1-15(2)33-26(29)27-21(16-8-9-16)14-32-24-20(11-13-23(30-3)25(24)31-4)17-6-5-7-19-18(17)10-12-22(19)28/h5-7,11,13,15-16,21H,8-10,12,14H2,1-4H3,(H,27,29).

What are the key properties of propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?

propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate has a molecular weight of 453.54 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 71279372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).