(2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C25H34N2O3 — CID 100654908

About (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

(2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100654908) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 100654908
• Molecular Formula: C25H34N2O3
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.26
• IUPAC Name: (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
• SMILES: Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@H](C)C(=O)NC(C)C
• InChI: InChI=1S/C25H34N2O3/c1-17(2)22-13-9-10-14-23(22)30-16-24(28)27(20(6)25(29)26-18(3)4)15-21-12-8-7-11-19(21)5/h7-14,17-18,20H,15-16H2,1-6H3,(H,26,29)/t20-/m1/s1
• InChIKey: AMVPAUZSMQQMKZ-HXUWFJFHSA-N
• XLogP: 4.44
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?

The IUPAC name of (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 100654908) is (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

What is the SMILES notation for (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?

The canonical SMILES for (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@H](C)C(=O)NC(C)C.

What is the InChIKey of (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?

The InChIKey is AMVPAUZSMQQMKZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-17(2)22-13-9-10-14-23(22)30-16-24(28)27(20(6)25(29)26-18(3)4)15-21-12-8-7-11-19(21)5/h7-14,17-18,20H,15-16H2,1-6H3,(H,26,29)/t20-/m1/s1.

What are the key properties of (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?

(2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100654908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).