4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C28H34N4O2 — CID 11271099

IUPAC4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)
InChIKeyYECOTWMMKZQQAE-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.28
Rot. Bonds9

About 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 11271099) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID11271099
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)
InChIKeyYECOTWMMKZQQAE-UHFFFAOYSA-N
XLogP4.28
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 11271099) is 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1.
What is the InChIKey of 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is YECOTWMMKZQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33).
What are the key properties of 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11271099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).