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

C21H26N2O3 — CID 110615920

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

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

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 110615920) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID110615920
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-10-7-16(20(15-19)26-2)11-12-22-21(24)17-5-8-18(9-6-17)23-13-3-4-14-23/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,24)
InChIKeyDJIUJPZFJIOVHU-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

Analyze N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72940866
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480
N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796019
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide (CID 110615920) is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide is COc1ccc(CCNC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is DJIUJPZFJIOVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-10-7-16(20(15-19)26-2)11-12-22-21(24)17-5-8-18(9-6-17)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-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide?
N-[2-(2,4-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-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110615920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).