2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

C22H29ClN2O4 — CID 138398889

IUPAC2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCOc1ccc(OCC(=O)N(CCN2CCCC2)c2ccccc2OC)cc1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-26-18-9-11-19(12-10-18)28-17-22(25)24(16-15-23-13-5-6-14-23)20-7-3-4-8-21(20)27-2;/h3-4,7-12H,5-6,13-17H2,1-2H3;1H
InChIKeyWJJDZFYFGJOXTP-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.63
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (PubChem CID 138398889) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
PubChem CID138398889
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCOc1ccc(OCC(=O)N(CCN2CCCC2)c2ccccc2OC)cc1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-26-18-9-11-19(12-10-18)28-17-22(25)24(16-15-23-13-5-6-14-23)20-7-3-4-8-21(20)27-2;/h3-4,7-12H,5-6,13-17H2,1-2H3;1H
InChIKeyWJJDZFYFGJOXTP-UHFFFAOYSA-N
XLogP3.63
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]-2-piperidin-1-ylacetamide
CID 3043477
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207477
2-(4-tert-butylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56508711
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997648
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
CID 2310232
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997207
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
N-[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 70145702

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (CID 138398889) is 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is COc1ccc(OCC(=O)N(CCN2CCCC2)c2ccccc2OC)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is WJJDZFYFGJOXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.ClH/c1-26-18-9-11-19(12-10-18)28-17-22(25)24(16-15-23-13-5-6-14-23)20-7-3-4-8-21(20)27-2;/h3-4,7-12H,5-6,13-17H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 138398889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).