1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C24H33N5O6 — CID 20841867

About 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 20841867) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 20841867
• Molecular Formula: C24H33N5O6
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.24
• IUPAC Name: 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(N)=O
• InChI: InChI=1S/C24H33N5O6/c1-14(26-22(33)19-5-3-11-28(19)15(2)30)24(35)29-12-4-6-20(29)23(34)27-18(21(25)32)13-16-7-9-17(31)10-8-16/h7-10,14,18-20,31H,3-6,11-13H2,1-2H3,(H2,25,32)(H,26,33)(H,27,34)
• InChIKey: HLMYQKFJANCLBS-UHFFFAOYSA-N
• XLogP: -0.59
• TPSA: 162.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	-0.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 20841867) is 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(N)=O.

What is the InChIKey of 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is HLMYQKFJANCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-14(26-22(33)19-5-3-11-28(19)15(2)30)24(35)29-12-4-6-20(29)23(34)27-18(21(25)32)13-16-7-9-17(31)10-8-16/h7-10,14,18-20,31H,3-6,11-13H2,1-2H3,(H2,25,32)(H,26,33)(H,27,34).

What are the key properties of 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?

1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of -0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[1-[2-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 20841867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).