2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide

C17H24N2O2 — CID 82136859

IUPAC2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)C(C#N)CCOc1cc(C)ccc1C
InChIInChI=1S/C17H24N2O2/c1-5-19(6-2)17(20)15(12-18)9-10-21-16-11-13(3)7-8-14(16)4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyPRGBRLMJEPKTJR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.08
Rot. Bonds7

About 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide

2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide (PubChem CID 82136859) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
PubChem CID82136859
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)C(C#N)CCOc1cc(C)ccc1C
InChIInChI=1S/C17H24N2O2/c1-5-19(6-2)17(20)15(12-18)9-10-21-16-11-13(3)7-8-14(16)4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyPRGBRLMJEPKTJR-UHFFFAOYSA-N
XLogP3.08
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N,N-diethyl-4-(2,3,6-trimethylphenoxy)butanamide
CID 82136874
2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
CID 82136881
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
4-(2,5-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
CID 82137871
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79376617
4-(2,5-dimethylphenoxy)-2-phenylbutanenitrile
CID 82136950
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
CID 11779994
(2S)-5-(2,5-dimethylphenoxy)-2-methylpentanoic acid
CID 92849810
ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
CID 101154521

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide?
The IUPAC name of 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide (CID 82136859) is 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide.
What is the SMILES notation for 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide?
The canonical SMILES for 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide is CCN(CC)C(=O)C(C#N)CCOc1cc(C)ccc1C.
What is the InChIKey of 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide?
The InChIKey is PRGBRLMJEPKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19(6-2)17(20)15(12-18)9-10-21-16-11-13(3)7-8-14(16)4/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide?
2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide is sourced from PubChem (CID 82136859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).