(2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C27H29NO2 — CID 2447879

About (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 2447879) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• PubChem CID: 2447879
• Molecular Formula: C27H29NO2
• Molecular Weight: 399.53 g/mol
• Exact Mass: 399.22
• IUPAC Name: (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• SMILES: Cc1ccc(-c2ccc(O[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1
• InChI: InChI=1S/C27H29NO2/c1-18-11-13-21(14-12-18)23-15-16-26(19(2)17-23)30-20(3)27(29)28-25-10-6-8-22-7-4-5-9-24(22)25/h4-5,7,9,11-17,20,25H,6,8,10H2,1-3H3,(H,28,29)/t20-,25-/m1/s1
• InChIKey: YXDKOVZKJKAJJG-CJFMBICVSA-N
• XLogP: 5.93
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.53
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The IUPAC name of (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 2447879) is (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

What is the SMILES notation for (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The canonical SMILES for (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is Cc1ccc(-c2ccc(O[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1.

What is the InChIKey of (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The InChIKey is YXDKOVZKJKAJJG-CJFMBICVSA-N. The full InChI is InChI=1S/C27H29NO2/c1-18-11-13-21(14-12-18)23-15-16-26(19(2)17-23)30-20(3)27(29)28-25-10-6-8-22-7-4-5-9-24(22)25/h4-5,7,9,11-17,20,25H,6,8,10H2,1-3H3,(H,28,29)/t20-,25-/m1/s1.

What are the key properties of (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

(2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 399.53 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 2447879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).