(2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide

C27H28N2O3 — CID 92772681

About (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide

(2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide (PubChem CID 92772681) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide.

Molecular Properties

• Compound Name: (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide
• PubChem CID: 92772681
• Molecular Formula: C27H28N2O3
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.21
• IUPAC Name: (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide
• SMILES: CC[C@@H](C(=O)N(Cc1ccc(OC)cc1)Cc1nc2cc(C)ccc2o1)c1ccccc1
• InChI: InChI=1S/C27H28N2O3/c1-4-23(21-8-6-5-7-9-21)27(30)29(17-20-11-13-22(31-3)14-12-20)18-26-28-24-16-19(2)10-15-25(24)32-26/h5-16,23H,4,17-18H2,1-3H3/t23-/m1/s1
• InChIKey: BQDCHTLQMHRNQG-HSZRJFAPSA-N
• XLogP: 5.87
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide?

The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide (CID 92772681) is (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide.

What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide?

The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide is CC[C@@H](C(=O)N(Cc1ccc(OC)cc1)Cc1nc2cc(C)ccc2o1)c1ccccc1.

What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide?

The InChIKey is BQDCHTLQMHRNQG-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-4-23(21-8-6-5-7-9-21)27(30)29(17-20-11-13-22(31-3)14-12-20)18-26-28-24-16-19(2)10-15-25(24)32-26/h5-16,23H,4,17-18H2,1-3H3/t23-/m1/s1.

What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide?

(2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide has a molecular weight of 428.53 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 92772681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).