tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate

C17H26N2O4 — CID 107246919

About tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate

tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate (PubChem CID 107246919) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate
• PubChem CID: 107246919
• Molecular Formula: C17H26N2O4
• Molecular Weight: 322.41 g/mol
• Exact Mass: 322.19
• IUPAC Name: tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate
• SMILES: CC(CCNC1COc2cc(O)ccc21)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C17H26N2O4/c1-11(19-16(21)23-17(2,3)4)7-8-18-14-10-22-15-9-12(20)5-6-13(14)15/h5-6,9,11,14,18,20H,7-8,10H2,1-4H3,(H,19,21)
• InChIKey: OOEVZIBYEWTEJV-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 79.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate (CID 107246919) is tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate is CC(CCNC1COc2cc(O)ccc21)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate?

The InChIKey is OOEVZIBYEWTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(19-16(21)23-17(2,3)4)7-8-18-14-10-22-15-9-12(20)5-6-13(14)15/h5-6,9,11,14,18,20H,7-8,10H2,1-4H3,(H,19,21).

What are the key properties of tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate?

tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107246919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).