N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide

C31H35N3O3 — CID 132619009

About N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide

N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide (PubChem CID 132619009) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

• Compound Name: N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide
• PubChem CID: 132619009
• Molecular Formula: C31H35N3O3
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.27
• IUPAC Name: N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide
• SMILES: CC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23
• InChI: InChI=1S/C31H35N3O3/c1-22(30(36)32-25-14-5-6-15-25)33(21-19-23-10-3-2-4-11-23)28(35)18-9-20-34-27-17-8-13-24-12-7-16-26(29(24)27)31(34)37/h2-4,7-8,10-13,16-17,22,25H,5-6,9,14-15,18-21H2,1H3,(H,32,36)
• InChIKey: VBESGTODCPRUCS-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide (CID 132619009) is N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide.

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

The canonical SMILES for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide is CC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23.

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

The InChIKey is VBESGTODCPRUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-22(30(36)32-25-14-5-6-15-25)33(21-19-23-10-3-2-4-11-23)28(35)18-9-20-34-27-17-8-13-24-12-7-16-26(29(24)27)31(34)37/h2-4,7-8,10-13,16-17,22,25H,5-6,9,14-15,18-21H2,1H3,(H,32,36).

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

N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 497.64 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 132619009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).