N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide

C24H22N2O3 — CID 55580815

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-18-6-8-22(9-7-18)29-23-12-10-21(11-13-23)28-17-24(27)26(2)16-20-5-3-4-19(14-20)15-25/h3-14H,16-17H2,1-2H3
InChIKeyHWLKDSZODYAUHL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.70
Rot. Bonds7

About N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide

N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 55580815) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID55580815
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-18-6-8-22(9-7-18)29-23-12-10-21(11-13-23)28-17-24(27)26(2)16-20-5-3-4-19(14-20)15-25/h3-14H,16-17H2,1-2H3
InChIKeyHWLKDSZODYAUHL-UHFFFAOYSA-N
XLogP4.70
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
2-(4-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8864519
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 47024081
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(3-cyanophenyl)methyl]-N-methylprop-2-enamide
CID 56808077
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 78916774
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 55580815) is N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is HWLKDSZODYAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-18-6-8-22(9-7-18)29-23-12-10-21(11-13-23)28-17-24(27)26(2)16-20-5-3-4-19(14-20)15-25/h3-14H,16-17H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 386.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 55580815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).