3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C22H27NO2 — CID 31442688

About 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 31442688) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
• PubChem CID: 31442688
• Molecular Formula: C22H27NO2
• Molecular Weight: 337.46 g/mol
• Exact Mass: 337.20
• IUPAC Name: 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
• SMILES: COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1
• InChI: InChI=1S/C22H27NO2/c1-16(19-11-10-18-5-3-4-6-20(18)15-19)23-22(24)14-9-17-7-12-21(25-2)13-8-17/h7-8,10-13,15-16H,3-6,9,14H2,1-2H3,(H,23,24)/t16-/m1/s1
• InChIKey: UYWVQISUDOXWOT-MRXNPFEDSA-N
• XLogP: 4.38
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.46
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

The IUPAC name of 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 31442688) is 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

The InChIKey is UYWVQISUDOXWOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(19-11-10-18-5-3-4-6-20(18)15-19)23-22(24)14-9-17-7-12-21(25-2)13-8-17/h7-8,10-13,15-16H,3-6,9,14H2,1-2H3,(H,23,24)/t16-/m1/s1.

What are the key properties of 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 337.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 31442688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).