2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide

C30H39N5O4 — CID 41429515

About 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide (PubChem CID 41429515) has the molecular formula C30H39N5O4 and a molecular weight of 533.67 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
• PubChem CID: 41429515
• Molecular Formula: C30H39N5O4
• Molecular Weight: 533.67 g/mol
• Exact Mass: 533.30
• IUPAC Name: 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
• SMILES: CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21
• InChI: InChI=1S/C30H39N5O4/c1-4-33(5-2)28(36)22-35-21-26(25-9-6-7-10-27(25)35)29(37)30(38)31-15-8-16-32-17-19-34(20-18-32)23-11-13-24(39-3)14-12-23/h6-7,9-14,21H,4-5,8,15-20,22H2,1-3H3,(H,31,38)
• InChIKey: ZPLJEEKOFLOTRA-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.67
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?

The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide (CID 41429515) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide.

What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?

The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21.

What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?

The InChIKey is ZPLJEEKOFLOTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4/c1-4-33(5-2)28(36)22-35-21-26(25-9-6-7-10-27(25)35)29(37)30(38)31-15-8-16-32-17-19-34(20-18-32)23-11-13-24(39-3)14-12-23/h6-7,9-14,21H,4-5,8,15-20,22H2,1-3H3,(H,31,38).

What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide has a molecular weight of 533.67 g/mol, XLogP of 3.03, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide is sourced from PubChem (CID 41429515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).