2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide

C17H16N2O3 — CID 2492423

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-19(14-6-4-3-5-7-14)17(20)12-22-15-9-8-13(11-18)10-16(15)21-2/h3-10H,12H2,1-2H3
InChIKeyTZULFIUWLVKXOD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide

2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide (PubChem CID 2492423) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
PubChem CID2492423
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-19(14-6-4-3-5-7-14)17(20)12-22-15-9-8-13(11-18)10-16(15)21-2/h3-10H,12H2,1-2H3
InChIKeyTZULFIUWLVKXOD-UHFFFAOYSA-N
XLogP2.61
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 134053335
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
CID 8976144
(4-cyano-2-methoxyphenyl) 2-phenoxyacetate
CID 2715586
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501259
3-methoxy-4-(2-oxopentoxy)benzonitrile
CID 62042091
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
3-methoxy-4-(2-methylprop-2-enoxy)benzonitrile
CID 2972917

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide (CID 2492423) is 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide is COc1cc(C#N)ccc1OCC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide?
The InChIKey is TZULFIUWLVKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19(14-6-4-3-5-7-14)17(20)12-22-15-9-8-13(11-18)10-16(15)21-2/h3-10H,12H2,1-2H3.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide?
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 2492423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).