2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide

C25H35N3O2 — CID 34246704

IUPAC2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-3-30-24-11-9-22(10-12-24)20-25(29)26-13-4-5-14-27-15-17-28(18-16-27)23-8-6-7-21(2)19-23/h6-12,19H,3-5,13-18,20H2,1-2H3,(H,26,29)
InChIKeyAPUSSAOXZDCUKC-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.65
Rot. Bonds10

About 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide

2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide (PubChem CID 34246704) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
PubChem CID34246704
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-3-30-24-11-9-22(10-12-24)20-25(29)26-13-4-5-14-27-15-17-28(18-16-27)23-8-6-7-21(2)19-23/h6-12,19H,3-5,13-18,20H2,1-2H3,(H,26,29)
InChIKeyAPUSSAOXZDCUKC-UHFFFAOYSA-N
XLogP3.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide
CID 86968073
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 34250927
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
CID 55911151
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide (CID 34246704) is 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide is CCOc1ccc(CC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide?
The InChIKey is APUSSAOXZDCUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-3-30-24-11-9-22(10-12-24)20-25(29)26-13-4-5-14-27-15-17-28(18-16-27)23-8-6-7-21(2)19-23/h6-12,19H,3-5,13-18,20H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide?
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide has a molecular weight of 409.57 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide is sourced from PubChem (CID 34246704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).