tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C20H24N2O4 — CID 143740982

About tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 143740982) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• PubChem CID: 143740982
• Molecular Formula: C20H24N2O4
• Molecular Weight: 356.42 g/mol
• Exact Mass: 356.17
• IUPAC Name: tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C1=CCCO1
• InChI: InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-16(18(23)17-9-6-10-25-17)11-13-12-21-15-8-5-4-7-14(13)15/h4-5,7-9,12,16,21H,6,10-11H2,1-3H3,(H,22,24)/t16-/m0/s1
• InChIKey: HTXOWTQZTXLFBY-INIZCTEOSA-N
• XLogP: 3.48
• TPSA: 80.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.42
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 143740982) is tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C1=CCCO1.

What is the InChIKey of tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The InChIKey is HTXOWTQZTXLFBY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-16(18(23)17-9-6-10-25-17)11-13-12-21-15-8-5-4-7-14(13)15/h4-5,7-9,12,16,21H,6,10-11H2,1-3H3,(H,22,24)/t16-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 143740982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).