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

C24H31Cl2NO5 — CID 142673487

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

(2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide (PubChem CID 142673487) has the molecular formula C24H31Cl2NO5 and a molecular weight of 484.42 g/mol. Its IUPAC name is (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide.

Molecular Properties

• Compound Name: (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
• PubChem CID: 142673487
• Molecular Formula: C24H31Cl2NO5
• Molecular Weight: 484.42 g/mol
• Exact Mass: 483.16
• IUPAC Name: (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
• SMILES: COc1cc(CCNC(=O)[C@@H](COc2ccc(Cl)c(Cl)c2)OC(C)C)ccc1OC(C)C
• InChI: InChI=1S/C24H31Cl2NO5/c1-15(2)31-21-9-6-17(12-22(21)29-5)10-11-27-24(28)23(32-16(3)4)14-30-18-7-8-19(25)20(26)13-18/h6-9,12-13,15-16,23H,10-11,14H2,1-5H3,(H,27,28)/t23-/m1/s1
• InChIKey: DAQLJMCDZZYBSS-HSZRJFAPSA-N
• XLogP: 5.32
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.42
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide (CID 142673487) is (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide.

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

The canonical SMILES for (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide is COc1cc(CCNC(=O)[C@@H](COc2ccc(Cl)c(Cl)c2)OC(C)C)ccc1OC(C)C.

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

The InChIKey is DAQLJMCDZZYBSS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31Cl2NO5/c1-15(2)31-21-9-6-17(12-22(21)29-5)10-11-27-24(28)23(32-16(3)4)14-30-18-7-8-19(25)20(26)13-18/h6-9,12-13,15-16,23H,10-11,14H2,1-5H3,(H,27,28)/t23-/m1/s1.

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

(2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide has a molecular weight of 484.42 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(3,4-dichlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide is sourced from PubChem (CID 142673487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).