N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide

C32H47N5O5 — CID 68889236

About N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide

N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide (PubChem CID 68889236) has the molecular formula C32H47N5O5 and a molecular weight of 581.76 g/mol. Its IUPAC name is N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide.

Molecular Properties

• Compound Name: N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide
• PubChem CID: 68889236
• Molecular Formula: C32H47N5O5
• Molecular Weight: 581.76 g/mol
• Exact Mass: 581.36
• IUPAC Name: N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide
• SMILES: CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C(NC(C)=O)C2CCCC2)cc1
• InChI: InChI=1S/C32H47N5O5/c1-6-35(7-2)24-14-12-23(13-15-24)30(40)34-25(18-20(3)4)31(41)36-17-16-26-29(36)27(39)19-37(26)32(42)28(33-21(5)38)22-10-8-9-11-22/h12-15,20,22,25-26,28-29H,6-11,16-19H2,1-5H3,(H,33,38)(H,34,40)
• InChIKey: OTZXLGHFHSHGBB-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 119.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.76
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide?

The IUPAC name of N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide (CID 68889236) is N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide.

What is the SMILES notation for N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide?

The canonical SMILES for N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C(NC(C)=O)C2CCCC2)cc1.

What is the InChIKey of N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide?

The InChIKey is OTZXLGHFHSHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O5/c1-6-35(7-2)24-14-12-23(13-15-24)30(40)34-25(18-20(3)4)31(41)36-17-16-26-29(36)27(39)19-37(26)32(42)28(33-21(5)38)22-10-8-9-11-22/h12-15,20,22,25-26,28-29H,6-11,16-19H2,1-5H3,(H,33,38)(H,34,40).

What are the key properties of N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide?

N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide has a molecular weight of 581.76 g/mol, XLogP of 2.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2-acetamido-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(diethylamino)benzamide is sourced from PubChem (CID 68889236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).