2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride

C22H29ClN2O2 — CID 52985221

IUPAC2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)COc2cccc(C)c2)N2CCCC2)cc1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-17-8-10-19(11-9-17)21(24-12-3-4-13-24)15-23-22(25)16-26-20-7-5-6-18(2)14-20;/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,25);1H
InChIKeyWIRXOWRAGNSTDQ-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.06
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride

2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride (PubChem CID 52985221) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
PubChem CID52985221
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)COc2cccc(C)c2)N2CCCC2)cc1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-17-8-10-19(11-9-17)21(24-12-3-4-13-24)15-23-22(25)16-26-20-7-5-6-18(2)14-20;/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,25);1H
InChIKeyWIRXOWRAGNSTDQ-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931343
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 35043931
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 35129885
4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 46512708
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride (CID 52985221) is 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride is Cc1ccc(C(CNC(=O)COc2cccc(C)c2)N2CCCC2)cc1.Cl.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
The InChIKey is WIRXOWRAGNSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c1-17-8-10-19(11-9-17)21(24-12-3-4-13-24)15-23-22(25)16-26-20-7-5-6-18(2)14-20;/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 52985221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).