2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide

C16H21N3O2 — CID 105417759

IUPAC2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)COc2ccccc2C#N)CCC1
InChIInChI=1S/C16H21N3O2/c1-19(2)16(8-5-9-16)12-18-15(20)11-21-14-7-4-3-6-13(14)10-17/h3-4,6-7H,5,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyPZXNCVSDTSCRNM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.54
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide

2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide (PubChem CID 105417759) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
PubChem CID105417759
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)COc2ccccc2C#N)CCC1
InChIInChI=1S/C16H21N3O2/c1-19(2)16(8-5-9-16)12-18-15(20)11-21-14-7-4-3-6-13(14)10-17/h3-4,6-7H,5,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyPZXNCVSDTSCRNM-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-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide (CID 105417759) is 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide is CN(C)C1(CNC(=O)COc2ccccc2C#N)CCC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The InChIKey is PZXNCVSDTSCRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)16(8-5-9-16)12-18-15(20)11-21-14-7-4-3-6-13(14)10-17/h3-4,6-7H,5,8-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]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-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 105417759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).