N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C23H30N4O3 — CID 9436558

IUPACN-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C23H30N4O3/c1-3-18-8-4-5-9-19(18)24-22(28)16-26-12-14-27(15-13-26)17-23(29)25-20-10-6-7-11-21(20)30-2/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyAWBVDSLCIIAHNP-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.45
Rot. Bonds8

About N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 9436558) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID9436558
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C23H30N4O3/c1-3-18-8-4-5-9-19(18)24-22(28)16-26-12-14-27(15-13-26)17-23(29)25-20-10-6-7-11-21(20)30-2/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyAWBVDSLCIIAHNP-UHFFFAOYSA-N
XLogP2.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773310
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 171702460
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate
CID 154758427
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 9436558) is N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is AWBVDSLCIIAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-18-8-4-5-9-19(18)24-22(28)16-26-12-14-27(15-13-26)17-23(29)25-20-10-6-7-11-21(20)30-2/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9436558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).