tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate

C31H42N2O8 — CID 102486092

About tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 102486092) has the molecular formula C31H42N2O8 and a molecular weight of 570.68 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 102486092
• Molecular Formula: C31H42N2O8
• Molecular Weight: 570.68 g/mol
• Exact Mass: 570.29
• IUPAC Name: tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate
• SMILES: CC(NC(=O)OC(C)(C)C)C(=O)NC[C@@H](OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C31H42N2O8/c1-20(33-29(35)41-30(2,3)4)27(34)32-17-23(36-18-21-13-9-7-10-14-21)24-25(37-19-22-15-11-8-12-16-22)26-28(38-24)40-31(5,6)39-26/h7-16,20,23-26,28H,17-19H2,1-6H3,(H,32,34)(H,33,35)/t20?,23-,24-,25-,26-,28-/m1/s1
• InChIKey: BXCOOGHUKSCJGC-ZUUFWJPLSA-N
• XLogP: 4.06
• TPSA: 113.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.68
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate (CID 102486092) is tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NC[C@@H](OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OCc1ccccc1.

What is the InChIKey of tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate?

The InChIKey is BXCOOGHUKSCJGC-ZUUFWJPLSA-N. The full InChI is InChI=1S/C31H42N2O8/c1-20(33-29(35)41-30(2,3)4)27(34)32-17-23(36-18-21-13-9-7-10-14-21)24-25(37-19-22-15-11-8-12-16-22)26-28(38-24)40-31(5,6)39-26/h7-16,20,23-26,28H,17-19H2,1-6H3,(H,32,34)(H,33,35)/t20?,23-,24-,25-,26-,28-/m1/s1.

What are the key properties of tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate?

tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 570.68 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 102486092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).