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

C30H35N3O3 — CID 132985405

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

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide (PubChem CID 132985405) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide.

Molecular Properties

• Compound Name: N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
• PubChem CID: 132985405
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
• SMILES: Cc1ccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)C(C)C(=O)NC(C)(C)C)cc1
• InChI: InChI=1S/C30H35N3O3/c1-20-14-16-22(17-15-20)19-33(21(2)28(35)31-30(3,4)5)26(34)13-8-18-32-25-12-7-10-23-9-6-11-24(27(23)25)29(32)36/h6-7,9-12,14-17,21H,8,13,18-19H2,1-5H3,(H,31,35)
• InChIKey: SAZRSJCXOSYUJR-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide (CID 132985405) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide.

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

The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide is Cc1ccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)C(C)C(=O)NC(C)(C)C)cc1.

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

The InChIKey is SAZRSJCXOSYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-20-14-16-22(17-15-20)19-33(21(2)28(35)31-30(3,4)5)26(34)13-8-18-32-25-12-7-10-23-9-6-11-24(27(23)25)29(32)36/h6-7,9-12,14-17,21H,8,13,18-19H2,1-5H3,(H,31,35).

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

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide has a molecular weight of 485.63 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide is sourced from PubChem (CID 132985405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).