N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide

C24H33N3O2 — CID 3229495

IUPACN-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCCCCOc1ccc(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-4-5-16-29-22-10-8-21(9-11-22)25-24(28)18-26-12-14-27(15-13-26)23-17-19(2)6-7-20(23)3/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28)
InChIKeyWTLMFYUDKVYCKD-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.24
Rot. Bonds8

About N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide

N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide (PubChem CID 3229495) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide
PubChem CID3229495
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCCCCOc1ccc(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-4-5-16-29-22-10-8-21(9-11-22)25-24(28)18-26-12-14-27(15-13-26)23-17-19(2)6-7-20(23)3/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28)
InChIKeyWTLMFYUDKVYCKD-UHFFFAOYSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.24
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-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
4-(2,5-dimethylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
CID 17171495
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide (CID 3229495) is N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide is CCCCOc1ccc(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide?
The InChIKey is WTLMFYUDKVYCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-5-16-29-22-10-8-21(9-11-22)25-24(28)18-26-12-14-27(15-13-26)23-17-19(2)6-7-20(23)3/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28).
What are the key properties of N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide?
N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3229495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).