4-cyano-N-(2,6-diethylphenyl)pentanamide

C16H22N2O — CID 112516692

IUPAC4-cyano-N-(2,6-diethylphenyl)pentanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(C)C#N
InChIInChI=1S/C16H22N2O/c1-4-13-7-6-8-14(5-2)16(13)18-15(19)10-9-12(3)11-17/h6-8,12H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyLUTFPVLKYQIGSF-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.69
Rot. Bonds6

About 4-cyano-N-(2,6-diethylphenyl)pentanamide

4-cyano-N-(2,6-diethylphenyl)pentanamide (PubChem CID 112516692) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-cyano-N-(2,6-diethylphenyl)pentanamide.

Molecular Properties

Compound Name4-cyano-N-(2,6-diethylphenyl)pentanamide
PubChem CID112516692
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-cyano-N-(2,6-diethylphenyl)pentanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(C)C#N
InChIInChI=1S/C16H22N2O/c1-4-13-7-6-8-14(5-2)16(13)18-15(19)10-9-12(3)11-17/h6-8,12H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyLUTFPVLKYQIGSF-UHFFFAOYSA-N
XLogP3.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyano-N-(2,6-diethylphenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
N-(2,6-diethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221408
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113137105
4-cyano-N-(2,6-dimethylphenyl)heptanamide
CID 112516684
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
CID 112516837
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,6-diethylphenyl)pentanamide?
The IUPAC name of 4-cyano-N-(2,6-diethylphenyl)pentanamide (CID 112516692) is 4-cyano-N-(2,6-diethylphenyl)pentanamide.
What is the SMILES notation for 4-cyano-N-(2,6-diethylphenyl)pentanamide?
The canonical SMILES for 4-cyano-N-(2,6-diethylphenyl)pentanamide is CCc1cccc(CC)c1NC(=O)CCC(C)C#N.
What is the InChIKey of 4-cyano-N-(2,6-diethylphenyl)pentanamide?
The InChIKey is LUTFPVLKYQIGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13-7-6-8-14(5-2)16(13)18-15(19)10-9-12(3)11-17/h6-8,12H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-cyano-N-(2,6-diethylphenyl)pentanamide?
4-cyano-N-(2,6-diethylphenyl)pentanamide has a molecular weight of 258.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,6-diethylphenyl)pentanamide is sourced from PubChem (CID 112516692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).