(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide

C25H35NO5 — CID 142673390

About (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide

(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide (PubChem CID 142673390) has the molecular formula C25H35NO5 and a molecular weight of 429.56 g/mol. Its IUPAC name is (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
• PubChem CID: 142673390
• Molecular Formula: C25H35NO5
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.25
• IUPAC Name: (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
• SMILES: COc1cc(CCNC(=O)[C@H](COc2ccc(C)cc2)OC(C)C)ccc1OC(C)C
• InChI: InChI=1S/C25H35NO5/c1-17(2)30-22-12-9-20(15-23(22)28-6)13-14-26-25(27)24(31-18(3)4)16-29-21-10-7-19(5)8-11-21/h7-12,15,17-18,24H,13-14,16H2,1-6H3,(H,26,27)/t24-/m0/s1
• InChIKey: VEPFNRBNSJHYKS-DEOSSOPVSA-N
• XLogP: 4.32
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide (CID 142673390) is (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide.

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

The canonical SMILES for (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide is COc1cc(CCNC(=O)[C@H](COc2ccc(C)cc2)OC(C)C)ccc1OC(C)C.

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

The InChIKey is VEPFNRBNSJHYKS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H35NO5/c1-17(2)30-22-12-9-20(15-23(22)28-6)13-14-26-25(27)24(31-18(3)4)16-29-21-10-7-19(5)8-11-21/h7-12,15,17-18,24H,13-14,16H2,1-6H3,(H,26,27)/t24-/m0/s1.

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

(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide has a molecular weight of 429.56 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide is sourced from PubChem (CID 142673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).