N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide

C22H26FN3O2 — CID 24534552

IUPACN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CN(C)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C22H26FN3O2/c1-17-13-18(2)15-20(14-17)26(10-4-9-24)22(27)16-25(3)11-12-28-21-7-5-19(23)6-8-21/h5-8,13-15H,4,10-12,16H2,1-3H3
InChIKeyRXILYJGEVKALTL-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.70
Rot. Bonds9

About N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide

N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 24534552) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID24534552
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CN(C)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C22H26FN3O2/c1-17-13-18(2)15-20(14-17)26(10-4-9-24)22(27)16-25(3)11-12-28-21-7-5-19(23)6-8-21/h5-8,13-15H,4,10-12,16H2,1-3H3
InChIKeyRXILYJGEVKALTL-UHFFFAOYSA-N
XLogP3.70
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide 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

3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 99159904
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 16534808
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2108726
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18124582
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243399
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 2393435
2-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 63679867
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18126857
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27997942

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide (CID 24534552) is N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CCOc2ccc(F)cc2)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is RXILYJGEVKALTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-17-13-18(2)15-20(14-17)26(10-4-9-24)22(27)16-25(3)11-12-28-21-7-5-19(23)6-8-21/h5-8,13-15H,4,10-12,16H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 24534552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).