2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide

C13H14N2O2 — CID 43243621

IUPAC2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C13H14N2O2/c1-15(11-4-5-11)13(16)9-17-12-6-2-10(8-14)3-7-12/h2-3,6-7,11H,4-5,9H2,1H3
InChIKeyNVIZZYCCNTZWGP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide

2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide (PubChem CID 43243621) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
PubChem CID43243621
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C13H14N2O2/c1-15(11-4-5-11)13(16)9-17-12-6-2-10(8-14)3-7-12/h2-3,6-7,11H,4-5,9H2,1H3
InChIKeyNVIZZYCCNTZWGP-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 16540662
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825080
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide (CID 43243621) is 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide?
The InChIKey is NVIZZYCCNTZWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(11-4-5-11)13(16)9-17-12-6-2-10(8-14)3-7-12/h2-3,6-7,11H,4-5,9H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide?
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide has a molecular weight of 230.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 43243621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).