2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide

C18H26N2O2 — CID 82136848

IUPAC2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)C(C#N)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C18H26N2O2/c1-5-20(6-2)18(21)16(13-19)8-7-9-22-17-11-14(3)10-15(4)12-17/h10-12,16H,5-9H2,1-4H3
InChIKeyCKGSUTIUXZECTQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.47
Rot. Bonds8

About 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide

2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide (PubChem CID 82136848) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide.

Molecular Properties

Compound Name2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide
PubChem CID82136848
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)C(C#N)CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C18H26N2O2/c1-5-20(6-2)18(21)16(13-19)8-7-9-22-17-11-14(3)10-15(4)12-17/h10-12,16H,5-9H2,1-4H3
InChIKeyCKGSUTIUXZECTQ-UHFFFAOYSA-N
XLogP3.47
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
CID 82136881
2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
CID 82136859
2-cyano-N,N-diethyl-4-(2,3,6-trimethylphenoxy)butanamide
CID 82136874
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
5-(3,5-dimethylphenoxy)-2-phenylpentanenitrile
CID 82136917
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
2-[3-(3,5-dimethylphenoxy)propyl-ethylamino]-2-methylpropanoic acid
CID 62821867
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-3-methylbutanoic acid
CID 105353840

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide?
The IUPAC name of 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide (CID 82136848) is 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide.
What is the SMILES notation for 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide?
The canonical SMILES for 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide is CCN(CC)C(=O)C(C#N)CCCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide?
The InChIKey is CKGSUTIUXZECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-20(6-2)18(21)16(13-19)8-7-9-22-17-11-14(3)10-15(4)12-17/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide?
2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(3,5-dimethylphenoxy)-N,N-diethylpentanamide is sourced from PubChem (CID 82136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).