2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide

C17H24N2O3 — CID 82136881

IUPAC2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
SMILESCCOc1ccc(OCCC(C#N)C(=O)N(CC)CC)cc1
InChIInChI=1S/C17H24N2O3/c1-4-19(5-2)17(20)14(13-18)11-12-22-16-9-7-15(8-10-16)21-6-3/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyWIUFUQBTTGWNMG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.86
Rot. Bonds9

About 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide

2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide (PubChem CID 82136881) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
PubChem CID82136881
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
SMILESCCOc1ccc(OCCC(C#N)C(=O)N(CC)CC)cc1
InChIInChI=1S/C17H24N2O3/c1-4-19(5-2)17(20)14(13-18)11-12-22-16-9-7-15(8-10-16)21-6-3/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyWIUFUQBTTGWNMG-UHFFFAOYSA-N
XLogP2.86
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N,N-diethyl-4-(2,3,6-trimethylphenoxy)butanamide
CID 82136874
2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
CID 82136859
2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide
CID 82136848
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
2-(4-ethoxyanilino)-N,N-diethylbutanamide
CID 3027706
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide
CID 63692537
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60696515
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide?
The IUPAC name of 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide (CID 82136881) is 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide.
What is the SMILES notation for 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide?
The canonical SMILES for 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide is CCOc1ccc(OCCC(C#N)C(=O)N(CC)CC)cc1.
What is the InChIKey of 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide?
The InChIKey is WIUFUQBTTGWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-19(5-2)17(20)14(13-18)11-12-22-16-9-7-15(8-10-16)21-6-3/h7-10,14H,4-6,11-12H2,1-3H3.
What are the key properties of 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide?
2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide is sourced from PubChem (CID 82136881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).