2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H24N2O2 — CID 807549

IUPAC2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C
InChIInChI=1S/C20H24N2O2/c1-15-5-10-19(13-16(15)2)24-14-20(23)21-17-6-8-18(9-7-17)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyNRTACHHRVHDOAT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.92
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 807549) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID807549
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C
InChIInChI=1S/C20H24N2O2/c1-15-5-10-19(13-16(15)2)24-14-20(23)21-17-6-8-18(9-7-17)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyNRTACHHRVHDOAT-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Naproanilide
CID 40413
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N-(3-ethenylphenyl)-2-phenoxyacetamide
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1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
N-(4-Isopropyl-phenyl)-2-phenoxy-acetamide
CID 690069
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 729609
N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 755971
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
N-(2-methoxyphenyl)-2-naphthalen-2-yloxyacetamide
CID 1717965
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methoxyphenyl)acetamide
CID 2091158

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 807549) is 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NRTACHHRVHDOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-5-10-19(13-16(15)2)24-14-20(23)21-17-6-8-18(9-7-17)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 807549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).