N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide

C20H19N3O2 — CID 86978990

IUPACN-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(N(CCC#N)C(=O)COc2ccccc2C#N)c1C
InChIInChI=1S/C20H19N3O2/c1-15-7-5-9-18(16(15)2)23(12-6-11-21)20(24)14-25-19-10-4-3-8-17(19)13-22/h3-5,7-10H,6,12,14H2,1-2H3
InChIKeyMTFICABEIQKMQJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.50
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide

N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 86978990) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide
PubChem CID86978990
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(N(CCC#N)C(=O)COc2ccccc2C#N)c1C
InChIInChI=1S/C20H19N3O2/c1-15-7-5-9-18(16(15)2)23(12-6-11-21)20(24)14-25-19-10-4-3-8-17(19)13-22/h3-5,7-10H,6,12,14H2,1-2H3
InChIKeyMTFICABEIQKMQJ-UHFFFAOYSA-N
XLogP3.50
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 110897569
N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
CID 86869610
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 87012590
2-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
CID 38878091
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 35721181
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 51142804
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-[4-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 87013547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide (CID 86978990) is N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(N(CCC#N)C(=O)COc2ccccc2C#N)c1C.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is MTFICABEIQKMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-7-5-9-18(16(15)2)23(12-6-11-21)20(24)14-25-19-10-4-3-8-17(19)13-22/h3-5,7-10H,6,12,14H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide?
N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 86978990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).