2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide

C16H21N3O2 — CID 61217343

IUPAC2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCC(CN1CCCC1)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-13(11-19-8-2-3-9-19)18-16(20)12-21-15-6-4-14(10-17)5-7-15/h4-7,13H,2-3,8-9,11-12H2,1H3,(H,18,20)
InChIKeyJEWZUGHOSAWHKU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.54
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide

2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide (PubChem CID 61217343) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
PubChem CID61217343
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCC(CN1CCCC1)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-13(11-19-8-2-3-9-19)18-16(20)12-21-15-6-4-14(10-17)5-7-15/h4-7,13H,2-3,8-9,11-12H2,1H3,(H,18,20)
InChIKeyJEWZUGHOSAWHKU-UHFFFAOYSA-N
XLogP1.54
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115662181
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide (CID 61217343) is 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide is CC(CN1CCCC1)NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The InChIKey is JEWZUGHOSAWHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(11-19-8-2-3-9-19)18-16(20)12-21-15-6-4-14(10-17)5-7-15/h4-7,13H,2-3,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 61217343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).