N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide

C22H26N2O2 — CID 56534475

IUPACN-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CCc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H26N2O2/c1-4-26-21-11-9-20(10-12-21)24(15-5-14-23)22(25)13-8-19-7-6-17(2)16-18(19)3/h6-7,9-12,16H,4-5,8,13,15H2,1-3H3
InChIKeyCPZUOIMORFRBDX-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.58
Rot. Bonds8

About N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide

N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 56534475) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
PubChem CID56534475
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CCc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H26N2O2/c1-4-26-21-11-9-20(10-12-21)24(15-5-14-23)22(25)13-8-19-7-6-17(2)16-18(19)3/h6-7,9-12,16H,4-5,8,13,15H2,1-3H3
InChIKeyCPZUOIMORFRBDX-UHFFFAOYSA-N
XLogP4.58
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
N-(2-cyanoethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 56534390
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
N-(2-cyanoethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 78761794
N,N-bis(cyanomethyl)-3-(2,4-dimethylphenyl)propanamide
CID 52832632
N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
CID 55378041
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 56534481
N-(2-cyanoethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethoxyphenyl)propanamide
CID 56534575
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56572555
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 56534399

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide (CID 56534475) is N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(N(CCC#N)C(=O)CCc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is CPZUOIMORFRBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-26-21-11-9-20(10-12-21)24(15-5-14-23)22(25)13-8-19-7-6-17(2)16-18(19)3/h6-7,9-12,16H,4-5,8,13,15H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide?
N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 56534475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).