2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C24H26N4O5 — CID 42924253

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NC(c1cc(OC)cc(OC)c1)c1nccn1C
InChIInChI=1S/C24H26N4O5/c1-5-32-21-10-16(14-25)6-7-20(21)33-15-22(29)27-23(24-26-8-9-28(24)2)17-11-18(30-3)13-19(12-17)31-4/h6-13,23H,5,15H2,1-4H3,(H,27,29)
InChIKeyGOKNCWXPADNNFS-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.99
Rot. Bonds10

About 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 42924253) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID42924253
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NC(c1cc(OC)cc(OC)c1)c1nccn1C
InChIInChI=1S/C24H26N4O5/c1-5-32-21-10-16(14-25)6-7-20(21)33-15-22(29)27-23(24-26-8-9-28(24)2)17-11-18(30-3)13-19(12-17)31-4/h6-13,23H,5,15H2,1-4H3,(H,27,29)
InChIKeyGOKNCWXPADNNFS-UHFFFAOYSA-N
XLogP2.99
TPSA107.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 41023714
2-(4-cyanoanilino)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47079560
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 18292461
2-(4-cyano-2-ethoxyphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 51279492
2-(4-cyano-2-ethoxyphenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55391592
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 46465537

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 42924253) is 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)NC(c1cc(OC)cc(OC)c1)c1nccn1C.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is GOKNCWXPADNNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-5-32-21-10-16(14-25)6-7-20(21)33-15-22(29)27-23(24-26-8-9-28(24)2)17-11-18(30-3)13-19(12-17)31-4/h6-13,23H,5,15H2,1-4H3,(H,27,29).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 42924253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).