2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C21H24N2O3 — CID 2714751

IUPAC2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-20(24)16-9-11-17(12-10-16)26-15-21(25)22-18-7-3-4-8-19(18)23-13-5-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,25)
InChIKeyVJDPTVLPMZGPLB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.90
Rot. Bonds7

About 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 2714751) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID2714751
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-20(24)16-9-11-17(12-10-16)26-15-21(25)22-18-7-3-4-8-19(18)23-13-5-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,25)
InChIKeyVJDPTVLPMZGPLB-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1263245
2-(4-methylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]acetamide
CID 4503314
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 2714751) is 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is VJDPTVLPMZGPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-20(24)16-9-11-17(12-10-16)26-15-21(25)22-18-7-3-4-8-19(18)23-13-5-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,25).
What are the key properties of 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2714751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).