(2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C22H41NO8 — CID 6668619

About (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6668619) has the molecular formula C22H41NO8 and a molecular weight of 447.57 g/mol. Its IUPAC name is (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6668619
• Molecular Formula: C22H41NO8
• Molecular Weight: 447.57 g/mol
• Exact Mass: 447.28
• IUPAC Name: (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCO[C@@H]1OC(C(=O)N(C)CC(OC)OC)=C[C@H](C(C)C)[C@H]1CCOCCOCCO
• InChI: InChI=1S/C22H41NO8/c1-7-30-22-17(8-10-28-12-13-29-11-9-24)18(16(2)3)14-19(31-22)21(25)23(4)15-20(26-5)27-6/h14,16-18,20,22,24H,7-13,15H2,1-6H3/t17-,18-,22-/m1/s1
• InChIKey: ZPKZYZUSQOKEAB-JBYIUTFZSA-N
• XLogP: 1.64
• TPSA: 95.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.57
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6668619) is (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)N(C)CC(OC)OC)=C[C@H](C(C)C)[C@H]1CCOCCOCCO.

What is the InChIKey of (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is ZPKZYZUSQOKEAB-JBYIUTFZSA-N. The full InChI is InChI=1S/C22H41NO8/c1-7-30-22-17(8-10-28-12-13-29-11-9-24)18(16(2)3)14-19(31-22)21(25)23(4)15-20(26-5)27-6/h14,16-18,20,22,24H,7-13,15H2,1-6H3/t17-,18-,22-/m1/s1.

What are the key properties of (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 447.57 g/mol, XLogP of 1.64, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6668619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).