(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide

C23H30ClNO5 — CID 142673381

About (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide

(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 142673381) has the molecular formula C23H30ClNO5 and a molecular weight of 435.95 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

• Compound Name: (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
• PubChem CID: 142673381
• Molecular Formula: C23H30ClNO5
• Molecular Weight: 435.95 g/mol
• Exact Mass: 435.18
• IUPAC Name: (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
• SMILES: CCO[C@@H](COc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1
• InChI: InChI=1S/C23H30ClNO5/c1-5-28-22(15-29-19-9-7-18(24)8-10-19)23(26)25-13-12-17-6-11-20(30-16(2)3)21(14-17)27-4/h6-11,14,16,22H,5,12-13,15H2,1-4H3,(H,25,26)/t22-/m0/s1
• InChIKey: CXPXTRFPQYAERN-QFIPXVFZSA-N
• XLogP: 4.28
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.95
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?

The IUPAC name of (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide (CID 142673381) is (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide.

What is the SMILES notation for (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?

The canonical SMILES for (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide is CCO[C@@H](COc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1.

What is the InChIKey of (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?

The InChIKey is CXPXTRFPQYAERN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30ClNO5/c1-5-28-22(15-29-19-9-7-18(24)8-10-19)23(26)25-13-12-17-6-11-20(30-16(2)3)21(14-17)27-4/h6-11,14,16,22H,5,12-13,15H2,1-4H3,(H,25,26)/t22-/m0/s1.

What are the key properties of (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide?

(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 435.95 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 142673381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).