N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide

C27H29N3O3 — CID 132672904

About N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide

N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide (PubChem CID 132672904) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide.

Molecular Properties

• Compound Name: N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
• PubChem CID: 132672904
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
• SMILES: CNC(=O)C(C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2cccc3cccc1c23
• InChI: InChI=1S/C27H29N3O3/c1-18-9-4-5-10-21(18)17-30(19(2)26(32)28-3)24(31)15-8-16-29-23-14-7-12-20-11-6-13-22(25(20)23)27(29)33/h4-7,9-14,19H,8,15-17H2,1-3H3,(H,28,32)
• InChIKey: HXIZQLIPSLBYNJ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?

The IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide (CID 132672904) is N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide.

What is the SMILES notation for N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?

The canonical SMILES for N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide is CNC(=O)C(C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2cccc3cccc1c23.

What is the InChIKey of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?

The InChIKey is HXIZQLIPSLBYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-18-9-4-5-10-21(18)17-30(19(2)26(32)28-3)24(31)15-8-16-29-23-14-7-12-20-11-6-13-22(25(20)23)27(29)33/h4-7,9-14,19H,8,15-17H2,1-3H3,(H,28,32).

What are the key properties of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide?

N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide has a molecular weight of 443.55 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide is sourced from PubChem (CID 132672904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).