2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C21H25N3O3 — CID 18156952

IUPAC2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)NCCC(=O)N1CCCC1
InChIInChI=1S/C21H25N3O3/c25-20(22-13-12-21(26)24-14-4-5-15-24)16-27-19-10-8-18(9-11-19)23-17-6-2-1-3-7-17/h1-3,6-11,23H,4-5,12-16H2,(H,22,25)
InChIKeyCHKGWFCBXRRGPL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.94
Rot. Bonds8

About 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 18156952) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID18156952
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)NCCC(=O)N1CCCC1
InChIInChI=1S/C21H25N3O3/c25-20(22-13-12-21(26)24-14-4-5-15-24)16-27-19-10-8-18(9-11-19)23-17-6-2-1-3-7-17/h1-3,6-11,23H,4-5,12-16H2,(H,22,25)
InChIKeyCHKGWFCBXRRGPL-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
CID 2556596
2-(2-ethoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78794400
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-ethylacetamide
CID 18145615
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
CID 110287178
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 18156952) is 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is O=C(COc1ccc(Nc2ccccc2)cc1)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is CHKGWFCBXRRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(22-13-12-21(26)24-14-4-5-15-24)16-27-19-10-8-18(9-11-19)23-17-6-2-1-3-7-17/h1-3,6-11,23H,4-5,12-16H2,(H,22,25).
What are the key properties of 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 18156952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).