2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide

C21H24N2O4 — CID 55401705

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C21H24N2O4/c1-4-23(14-17-7-10-19(25-2)20(13-17)26-3)21(24)15-27-18-8-5-16(6-9-18)11-12-22/h5-10,13H,4,11,14-15H2,1-3H3
InChIKeyZKEQMTVMGFWAGQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.20
Rot. Bonds9

About 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide

2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide (PubChem CID 55401705) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
PubChem CID55401705
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C21H24N2O4/c1-4-23(14-17-7-10-19(25-2)20(13-17)26-3)21(24)15-27-18-8-5-16(6-9-18)11-12-22/h5-10,13H,4,11,14-15H2,1-3H3
InChIKeyZKEQMTVMGFWAGQ-UHFFFAOYSA-N
XLogP3.20
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8807783
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide (CID 55401705) is 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The InChIKey is ZKEQMTVMGFWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-23(14-17-7-10-19(25-2)20(13-17)26-3)21(24)15-27-18-8-5-16(6-9-18)11-12-22/h5-10,13H,4,11,14-15H2,1-3H3.
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide has a molecular weight of 368.43 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 55401705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).