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

C30H35N5O4 — CID 68965784

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

4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 68965784) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• PubChem CID: 68965784
• Molecular Formula: C30H35N5O4
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.27
• IUPAC Name: 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• SMILES: CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc2cc[nH]c2c1
• InChI: InChI=1S/C30H35N5O4/c1-18(2)15-24(32-28(37)20-7-9-22(10-8-20)33(3)4)30(39)34-14-12-25-27(34)26(36)17-35(25)29(38)21-6-5-19-11-13-31-23(19)16-21/h5-11,13,16,18,24-25,27,31H,12,14-15,17H2,1-4H3,(H,32,37)
• InChIKey: JUMFDWPYCYJZKJ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 68965784) is 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

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

The canonical SMILES for 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc2cc[nH]c2c1.

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

The InChIKey is JUMFDWPYCYJZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4/c1-18(2)15-24(32-28(37)20-7-9-22(10-8-20)33(3)4)30(39)34-14-12-25-27(34)26(36)17-35(25)29(38)21-6-5-19-11-13-31-23(19)16-21/h5-11,13,16,18,24-25,27,31H,12,14-15,17H2,1-4H3,(H,32,37).

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

4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 529.64 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[1-[4-(1H-indole-6-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 68965784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).