2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H24N2O3 — CID 4932401

IUPAC2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-11-16(2)13-17(12-15)26-14-20(24)22-19-8-4-3-7-18(19)21(25)23-9-5-6-10-23/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3,(H,22,24)
InChIKeyWJSHJWMAHNQWPN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.56
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 4932401) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID4932401
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-11-16(2)13-17(12-15)26-14-20(24)22-19-8-4-3-7-18(19)21(25)23-9-5-6-10-23/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3,(H,22,24)
InChIKeyWJSHJWMAHNQWPN-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939290
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 55639621

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 4932401) is 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is WJSHJWMAHNQWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-11-16(2)13-17(12-15)26-14-20(24)22-19-8-4-3-7-18(19)21(25)23-9-5-6-10-23/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4932401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).