2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

C21H24N2O5 — CID 7757349

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)COc2ccc(C#N)cc2OC)cc1OC
InChIInChI=1S/C21H24N2O5/c1-23(10-9-15-5-7-17(25-2)19(11-15)26-3)21(24)14-28-18-8-6-16(13-22)12-20(18)27-4/h5-8,11-12H,9-10,14H2,1-4H3
InChIKeyWAEACYBDUYIGMH-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.66
Rot. Bonds9

About 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 7757349) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
PubChem CID7757349
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)COc2ccc(C#N)cc2OC)cc1OC
InChIInChI=1S/C21H24N2O5/c1-23(10-9-15-5-7-17(25-2)19(11-15)26-3)21(24)14-28-18-8-6-16(13-22)12-20(18)27-4/h5-8,11-12H,9-10,14H2,1-4H3
InChIKeyWAEACYBDUYIGMH-UHFFFAOYSA-N
XLogP2.66
TPSA81.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
2-(2-chloro-4-nitrophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 4784990
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
3-methoxy-4-(2-oxopentoxy)benzonitrile
CID 62042091
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide
CID 52777591

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (CID 7757349) is 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CCN(C)C(=O)COc2ccc(C#N)cc2OC)cc1OC.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is WAEACYBDUYIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-23(10-9-15-5-7-17(25-2)19(11-15)26-3)21(24)14-28-18-8-6-16(13-22)12-20(18)27-4/h5-8,11-12H,9-10,14H2,1-4H3.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 384.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 7757349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).