(2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide

C26H37NO5 — CID 142673473

About (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide

(2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide (PubChem CID 142673473) has the molecular formula C26H37NO5 and a molecular weight of 443.58 g/mol. Its IUPAC name is (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide.

Molecular Properties

• Compound Name: (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
• PubChem CID: 142673473
• Molecular Formula: C26H37NO5
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.27
• IUPAC Name: (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
• SMILES: CCc1ccc(OC[C@@H](OC(C)C)C(=O)NCCc2ccc(OC(C)C)c(OC)c2)cc1
• InChI: InChI=1S/C26H37NO5/c1-7-20-8-11-22(12-9-20)30-17-25(32-19(4)5)26(28)27-15-14-21-10-13-23(31-18(2)3)24(16-21)29-6/h8-13,16,18-19,25H,7,14-15,17H2,1-6H3,(H,27,28)/t25-/m1/s1
• InChIKey: UVQNMUFQINDUMJ-RUZDIDTESA-N
• XLogP: 4.58
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide?

The IUPAC name of (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide (CID 142673473) is (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide.

What is the SMILES notation for (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide?

The canonical SMILES for (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide is CCc1ccc(OC[C@@H](OC(C)C)C(=O)NCCc2ccc(OC(C)C)c(OC)c2)cc1.

What is the InChIKey of (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide?

The InChIKey is UVQNMUFQINDUMJ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H37NO5/c1-7-20-8-11-22(12-9-20)30-17-25(32-19(4)5)26(28)27-15-14-21-10-13-23(31-18(2)3)24(16-21)29-6/h8-13,16,18-19,25H,7,14-15,17H2,1-6H3,(H,27,28)/t25-/m1/s1.

What are the key properties of (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide?

(2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide has a molecular weight of 443.58 g/mol, XLogP of 4.58, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide is sourced from PubChem (CID 142673473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).