N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide

C35H43N3O4 — CID 42723707

About N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide

N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide (PubChem CID 42723707) has the molecular formula C35H43N3O4 and a molecular weight of 569.75 g/mol. Its IUPAC name is N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide
• PubChem CID: 42723707
• Molecular Formula: C35H43N3O4
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.33
• IUPAC Name: N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide
• SMILES: CCCCc1ccc(C(=O)N2CCN(CCN(C/C=C/c3ccccc3OC)C(=O)c3ccc(OC)cc3)CC2)cc1
• InChI: InChI=1S/C35H43N3O4/c1-4-5-9-28-13-15-30(16-14-28)35(40)38-26-23-36(24-27-38)22-25-37(34(39)31-17-19-32(41-2)20-18-31)21-8-11-29-10-6-7-12-33(29)42-3/h6-8,10-20H,4-5,9,21-27H2,1-3H3/b11-8+
• InChIKey: YLFXVPYVDFQASM-DHZHZOJOSA-N
• XLogP: 5.66
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide?

The IUPAC name of N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide (CID 42723707) is N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide.

What is the SMILES notation for N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide?

The canonical SMILES for N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide is CCCCc1ccc(C(=O)N2CCN(CCN(C/C=C/c3ccccc3OC)C(=O)c3ccc(OC)cc3)CC2)cc1.

What is the InChIKey of N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide?

The InChIKey is YLFXVPYVDFQASM-DHZHZOJOSA-N. The full InChI is InChI=1S/C35H43N3O4/c1-4-5-9-28-13-15-30(16-14-28)35(40)38-26-23-36(24-27-38)22-25-37(34(39)31-17-19-32(41-2)20-18-31)21-8-11-29-10-6-7-12-33(29)42-3/h6-8,10-20H,4-5,9,21-27H2,1-3H3/b11-8+.

What are the key properties of N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide?

N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide has a molecular weight of 569.75 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-butylbenzoyl)piperazin-1-yl]ethyl]-4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]benzamide is sourced from PubChem (CID 42723707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).