2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C20H26N2O4 — CID 51260677

IUPAC2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(C2CCCN2CC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C20H26N2O4/c1-21(13-16-6-5-11-26-16)20(23)14-22-10-4-7-18(22)17-12-15(24-2)8-9-19(17)25-3/h5-6,8-9,11-12,18H,4,7,10,13-14H2,1-3H3
InChIKeyOIGQQNJIUPBNPV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 51260677) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID51260677
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(C2CCCN2CC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C20H26N2O4/c1-21(13-16-6-5-11-26-16)20(23)14-22-10-4-7-18(22)17-12-15(24-2)8-9-19(17)25-3/h5-6,8-9,11-12,18H,4,7,10,13-14H2,1-3H3
InChIKeyOIGQQNJIUPBNPV-UHFFFAOYSA-N
XLogP3.09
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromophenyl)methyl]-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 42921590
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 26522130
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8833800
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95570875
(2R)-N-(furan-2-ylmethyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 38775053
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51207395
ethyl 4-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 26521926
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 51260677) is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is COc1ccc(OC)c(C2CCCN2CC(=O)N(C)Cc2ccco2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is OIGQQNJIUPBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-21(13-16-6-5-11-26-16)20(23)14-22-10-4-7-18(22)17-12-15(24-2)8-9-19(17)25-3/h5-6,8-9,11-12,18H,4,7,10,13-14H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 358.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 51260677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).