2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

C22H28N2O3 — CID 51179547

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(c2ccccc2)N2CCCC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-20-11-10-17(14-21(20)27-2)15-22(25)23-16-19(24-12-6-7-13-24)18-8-4-3-5-9-18/h3-5,8-11,14,19H,6-7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyXESWPIUGVIMVGZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 51179547) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID51179547
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(c2ccccc2)N2CCCC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-20-11-10-17(14-21(20)27-2)15-22(25)23-16-19(24-12-6-7-13-24)18-8-4-3-5-9-18/h3-5,8-11,14,19H,6-7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyXESWPIUGVIMVGZ-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931742
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30605354
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 51179547) is 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is COc1ccc(CC(=O)NCC(c2ccccc2)N2CCCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is XESWPIUGVIMVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-11-10-17(14-21(20)27-2)15-22(25)23-16-19(24-12-6-7-13-24)18-8-4-3-5-9-18/h3-5,8-11,14,19H,6-7,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 51179547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).