2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

C23H31N2O3+ — CID 8545376

IUPAC2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-27-21-10-12-22(13-11-21)28-18-23(26)24-16-19-6-8-20(9-7-19)17-25-14-4-3-5-15-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)/p+1
InChIKeyOOJQGBGJFCLIJE-UHFFFAOYSA-O
MW383.51 g/mol
LogP2.35
Rot. Bonds9

About 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8545376) has the molecular formula C23H31N2O3+ and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID8545376
Molecular FormulaC23H31N2O3+
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-27-21-10-12-22(13-11-21)28-18-23(26)24-16-19-6-8-20(9-7-19)17-25-14-4-3-5-15-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)/p+1
InChIKeyOOJQGBGJFCLIJE-UHFFFAOYSA-O
XLogP2.35
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8545051
2-(2-ethoxyphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9049859
2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate
CID 7446902
2-[2-oxo-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethoxy]benzamide
CID 8533134
2-phenoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810686
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide
CID 7447475
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8969620

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide (CID 8545376) is 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide is CCOc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is OOJQGBGJFCLIJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N2O3/c1-2-27-21-10-12-22(13-11-21)28-18-23(26)24-16-19-6-8-20(9-7-19)17-25-14-4-3-5-15-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)/p+1.
What are the key properties of 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 383.51 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8545376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).