tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate

C26H36N2O5 — CID 118929093

About tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate

tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate (PubChem CID 118929093) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate
• PubChem CID: 118929093
• Molecular Formula: C26H36N2O5
• Molecular Weight: 456.58 g/mol
• Exact Mass: 456.26
• IUPAC Name: tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate
• SMILES: COc1ccc(CN(CC(O)CNC(=O)OC(C)(C)C)C2Cc3ccccc3C2)c(OC)c1
• InChI: InChI=1S/C26H36N2O5/c1-26(2,3)33-25(30)27-15-22(29)17-28(21-12-18-8-6-7-9-19(18)13-21)16-20-10-11-23(31-4)14-24(20)32-5/h6-11,14,21-22,29H,12-13,15-17H2,1-5H3,(H,27,30)
• InChIKey: OXJXNESLAGSLHK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 80.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate?

The IUPAC name of tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate (CID 118929093) is tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate?

The canonical SMILES for tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate is COc1ccc(CN(CC(O)CNC(=O)OC(C)(C)C)C2Cc3ccccc3C2)c(OC)c1.

What is the InChIKey of tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate?

The InChIKey is OXJXNESLAGSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-26(2,3)33-25(30)27-15-22(29)17-28(21-12-18-8-6-7-9-19(18)13-21)16-20-10-11-23(31-4)14-24(20)32-5/h6-11,14,21-22,29H,12-13,15-17H2,1-5H3,(H,27,30).

What are the key properties of tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate?

tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate has a molecular weight of 456.58 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 118929093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).