N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide

C23H31N3O4 — CID 9259318

IUPACN-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O4/c1-3-29-21-6-4-19(5-7-21)24-23(27)18-26-14-12-25(13-15-26)16-17-30-22-10-8-20(28-2)9-11-22/h4-11H,3,12-18H2,1-2H3,(H,24,27)
InChIKeyGXHQHJUULPSNMY-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.73
Rot. Bonds10

About N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide (PubChem CID 9259318) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
PubChem CID9259318
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O4/c1-3-29-21-6-4-19(5-7-21)24-23(27)18-26-14-12-25(13-15-26)16-17-30-22-10-8-20(28-2)9-11-22/h4-11H,3,12-18H2,1-2H3,(H,24,27)
InChIKeyGXHQHJUULPSNMY-UHFFFAOYSA-N
XLogP2.73
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9113409

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide (CID 9259318) is N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
The InChIKey is GXHQHJUULPSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-29-21-6-4-19(5-7-21)24-23(27)18-26-14-12-25(13-15-26)16-17-30-22-10-8-20(28-2)9-11-22/h4-11H,3,12-18H2,1-2H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9259318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).