2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide

C22H26N2O5 — CID 46465537

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NC(C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C22H26N2O5/c1-6-28-21-10-16(12-23)7-8-18(21)29-13-22(25)24-15(3)17-11-20(27-5)19(26-4)9-14(17)2/h7-11,15H,6,13H2,1-5H3,(H,24,25)
InChIKeyKJYDRDHCUVIXER-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.54
Rot. Bonds9

About 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide (PubChem CID 46465537) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
PubChem CID46465537
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NC(C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C22H26N2O5/c1-6-28-21-10-16(12-23)7-8-18(21)29-13-22(25)24-15(3)17-11-20(27-5)19(26-4)9-14(17)2/h7-11,15H,6,13H2,1-5H3,(H,24,25)
InChIKeyKJYDRDHCUVIXER-UHFFFAOYSA-N
XLogP3.54
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-(4-cyano-2-methoxyphenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9459191
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(4-cyano-2-ethoxyphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 51279492
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide (CID 46465537) is 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)NC(C)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
The InChIKey is KJYDRDHCUVIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-6-28-21-10-16(12-23)7-8-18(21)29-13-22(25)24-15(3)17-11-20(27-5)19(26-4)9-14(17)2/h7-11,15H,6,13H2,1-5H3,(H,24,25).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 46465537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).