2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C16H20N2O3 — CID 115760086

IUPAC2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H20N2O3/c1-18(12-16(20)8-2-3-9-16)15(19)11-21-14-6-4-13(10-17)5-7-14/h4-7,20H,2-3,8-9,11-12H2,1H3
InChIKeyFGNIXKPNSZOSMQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.70
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 115760086) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID115760086
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H20N2O3/c1-18(12-16(20)8-2-3-9-16)15(19)11-21-14-6-4-13(10-17)5-7-14/h4-7,20H,2-3,8-9,11-12H2,1H3
InChIKeyFGNIXKPNSZOSMQ-UHFFFAOYSA-N
XLogP1.70
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
CID 114951541
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 115760086) is 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1(O)CCCC1)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is FGNIXKPNSZOSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(12-16(20)8-2-3-9-16)15(19)11-21-14-6-4-13(10-17)5-7-14/h4-7,20H,2-3,8-9,11-12H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.70, 5 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-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115760086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).