3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C22H26N2O3 — CID 39683094

IUPAC3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-16-5-10-20(17(2)15-16)27-14-11-21(25)23-19-8-6-18(7-9-19)22(26)24-12-3-4-13-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyJETSSEQCOJNDFG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds6

About 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 39683094) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID39683094
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-16-5-10-20(17(2)15-16)27-14-11-21(25)23-19-8-6-18(7-9-19)22(26)24-12-3-4-13-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyJETSSEQCOJNDFG-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 17199024
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
dimethyl 5-[3-(2,4-dimethylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 30839966
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669637
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55642415
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 38018921
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 134035369

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 39683094) is 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1ccc(OCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is JETSSEQCOJNDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-10-20(17(2)15-16)27-14-11-21(25)23-19-8-6-18(7-9-19)22(26)24-12-3-4-13-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 39683094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).