N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide

C29H24N2O3 — CID 18517709

About N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide

N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 18517709) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide
• PubChem CID: 18517709
• Molecular Formula: C29H24N2O3
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.18
• IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide
• SMILES: O=C(Cc1cccc2ccccc12)NC(CCc1ccccc1)C(=O)c1nc2ccccc2o1
• InChI: InChI=1S/C29H24N2O3/c32-27(19-22-13-8-12-21-11-4-5-14-23(21)22)30-25(18-17-20-9-2-1-3-10-20)28(33)29-31-24-15-6-7-16-26(24)34-29/h1-16,25H,17-19H2,(H,30,32)
• InChIKey: UHUFQUKZFBVHHW-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide (CID 18517709) is N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NC(CCc1ccccc1)C(=O)c1nc2ccccc2o1.

What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide?

The InChIKey is UHUFQUKZFBVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c32-27(19-22-13-8-12-21-11-4-5-14-23(21)22)30-25(18-17-20-9-2-1-3-10-20)28(33)29-31-24-15-6-7-16-26(24)34-29/h1-16,25H,17-19H2,(H,30,32).

What are the key properties of N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide?

N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 448.52 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 18517709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).