acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide

C25H32N4O9 — CID 142146237

About acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide

acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide (PubChem CID 142146237) has the molecular formula C25H32N4O9 and a molecular weight of 532.55 g/mol. Its IUPAC name is acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 142146237
• Molecular Formula: C25H32N4O9
• Molecular Weight: 532.55 g/mol
• Exact Mass: 532.22
• IUPAC Name: acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide
• SMILES: CC(=O)O.COc1ccc(C(C)=O)cc1CC(=O)NC(C(=O)NCC(=O)CNC(=O)c1ccno1)C(C)C
• InChI: InChI=1S/C23H28N4O7.C2H4O2/c1-13(2)21(23(32)25-12-17(29)11-24-22(31)19-7-8-26-34-19)27-20(30)10-16-9-15(14(3)28)5-6-18(16)33-4;1-2(3)4/h5-9,13,21H,10-12H2,1-4H3,(H,24,31)(H,25,32)(H,27,30);1H3,(H,3,4)
• InChIKey: DASMYZCONGQKCM-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 194.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.55
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide (CID 142146237) is acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide is CC(=O)O.COc1ccc(C(C)=O)cc1CC(=O)NC(C(=O)NCC(=O)CNC(=O)c1ccno1)C(C)C.

What is the InChIKey of acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide?

The InChIKey is DASMYZCONGQKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O7.C2H4O2/c1-13(2)21(23(32)25-12-17(29)11-24-22(31)19-7-8-26-34-19)27-20(30)10-16-9-15(14(3)28)5-6-18(16)33-4;1-2(3)4/h5-9,13,21H,10-12H2,1-4H3,(H,24,31)(H,25,32)(H,27,30);1H3,(H,3,4).

What are the key properties of acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide?

acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 532.55 g/mol, XLogP of 0.78, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-[3-[[2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-oxopropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 142146237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).