N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide

C21H26N2O2 — CID 35181296

IUPACN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
SMILESCc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-9-11-18(12-10-17)20(23-13-5-6-14-23)15-22-21(24)16-25-19-7-3-2-4-8-19/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyHVLPRXGCIIINLB-FQEVSTJZSA-N
MW338.45 g/mol
LogP3.33
Rot. Bonds7

About N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide (PubChem CID 35181296) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
PubChem CID35181296
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
SMILESCc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-9-11-18(12-10-17)20(23-13-5-6-14-23)15-22-21(24)16-25-19-7-3-2-4-8-19/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyHVLPRXGCIIINLB-FQEVSTJZSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
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-(4-bromophenoxy)acetamide
CID 34955007
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799067

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide (CID 35181296) is N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide is Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide?
The InChIKey is HVLPRXGCIIINLB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-9-11-18(12-10-17)20(23-13-5-6-14-23)15-22-21(24)16-25-19-7-3-2-4-8-19/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide?
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide is sourced from PubChem (CID 35181296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).