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

C27H40N4O4 — CID 68888537

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

4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide (PubChem CID 68888537) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide
• PubChem CID: 68888537
• Molecular Formula: C27H40N4O4
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.30
• IUPAC Name: 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide
• SMILES: CCC(C)CC(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N(C)C)cc1
• InChI: InChI=1S/C27H40N4O4/c1-7-18(4)15-24(33)31-16-23(32)25-22(31)12-13-30(25)27(35)21(14-17(2)3)28-26(34)19-8-10-20(11-9-19)29(5)6/h8-11,17-18,21-22,25H,7,12-16H2,1-6H3,(H,28,34)
• InChIKey: NYDXMFJAHVFJHE-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide (CID 68888537) is 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide.

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

The canonical SMILES for 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide is CCC(C)CC(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N(C)C)cc1.

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

The InChIKey is NYDXMFJAHVFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O4/c1-7-18(4)15-24(33)31-16-23(32)25-22(31)12-13-30(25)27(35)21(14-17(2)3)28-26(34)19-8-10-20(11-9-19)29(5)6/h8-11,17-18,21-22,25H,7,12-16H2,1-6H3,(H,28,34).

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

4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide has a molecular weight of 484.64 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[4-methyl-1-[4-(3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 68888537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).