N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide

C21H26N2O3 — CID 110295138

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-10-5-16(15-20(19)26-2)11-12-22-21(24)17-6-8-18(9-7-17)23-13-3-4-14-23/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,24)
InChIKeyQJAHMSYRGBOPIJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 110295138) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID110295138
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-10-5-16(15-20(19)26-2)11-12-22-21(24)17-6-8-18(9-7-17)23-13-3-4-14-23/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,24)
InChIKeyQJAHMSYRGBOPIJ-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92676922
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110615920
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide (CID 110295138) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide is COc1ccc(CCNC(=O)c2ccc(N3CCCC3)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is QJAHMSYRGBOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-10-5-16(15-20(19)26-2)11-12-22-21(24)17-6-8-18(9-7-17)23-13-3-4-14-23/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110295138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).