2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide

C23H26ClNO4 — CID 45271214

About 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide

2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide (PubChem CID 45271214) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide
• PubChem CID: 45271214
• Molecular Formula: C23H26ClNO4
• Molecular Weight: 415.92 g/mol
• Exact Mass: 415.16
• IUPAC Name: 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide
• SMILES: C#CCOc1ccc(CCNC(=O)C(OC(C)C)c2ccc(Cl)cc2)cc1OC
• InChI: InChI=1S/C23H26ClNO4/c1-5-14-28-20-11-6-17(15-21(20)27-4)12-13-25-23(26)22(29-16(2)3)18-7-9-19(24)10-8-18/h1,6-11,15-16,22H,12-14H2,2-4H3,(H,25,26)
• InChIKey: KOADGFXUUAMKJU-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.92
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide (CID 45271214) is 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide is C#CCOc1ccc(CCNC(=O)C(OC(C)C)c2ccc(Cl)cc2)cc1OC.

What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide?

The InChIKey is KOADGFXUUAMKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-5-14-28-20-11-6-17(15-21(20)27-4)12-13-25-23(26)22(29-16(2)3)18-7-9-19(24)10-8-18/h1,6-11,15-16,22H,12-14H2,2-4H3,(H,25,26).

What are the key properties of 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide?

2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 415.92 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 45271214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).