2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

C22H26N2O3 — CID 4958532

IUPAC2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H26N2O3/c1-15-9-8-10-16(2)20(15)27-17(3)21(25)23-19-12-5-4-11-18(19)22(26)24-13-6-7-14-24/h4-5,8-12,17H,6-7,13-14H2,1-3H3,(H,23,25)
InChIKeyFYAXDBISEIRIKK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 4958532) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID4958532
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H26N2O3/c1-15-9-8-10-16(2)20(15)27-17(3)21(25)23-19-12-5-4-11-18(19)22(26)24-13-6-7-14-24/h4-5,8-12,17H,6-7,13-14H2,1-3H3,(H,23,25)
InChIKeyFYAXDBISEIRIKK-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(2,6-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4958548
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94012360
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 2995669
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 40796739
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
CID 9297715
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 4958532) is 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1cccc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is FYAXDBISEIRIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-9-8-10-16(2)20(15)27-17(3)21(25)23-19-12-5-4-11-18(19)22(26)24-13-6-7-14-24/h4-5,8-12,17H,6-7,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 4958532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).