3-cyano-N-(4-propan-2-ylphenyl)butanamide

C14H18N2O — CID 82115706

IUPAC3-cyano-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C#N)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)12-4-6-13(7-5-12)16-14(17)8-11(3)9-15/h4-7,10-11H,8H2,1-3H3,(H,16,17)
InChIKeyDGACFBYQOYYIBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.30
Rot. Bonds4

About 3-cyano-N-(4-propan-2-ylphenyl)butanamide

3-cyano-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 82115706) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-cyano-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-cyano-N-(4-propan-2-ylphenyl)butanamide
PubChem CID82115706
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-cyano-N-(4-propan-2-ylphenyl)butanamide
SMILESCC(C#N)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)12-4-6-13(7-5-12)16-14(17)8-11(3)9-15/h4-7,10-11H,8H2,1-3H3,(H,16,17)
InChIKeyDGACFBYQOYYIBI-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(4-propan-2-ylphenyl)hexanamide
CID 112516658
3-cyano-N-(3,4-dimethylphenyl)butanamide
CID 82113806
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
N-(4-bromo-3-methylphenyl)-3-cyanobutanamide
CID 82124267
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
(2S)-2-[[4-oxo-4-(4-propan-2-ylanilino)butan-2-yl]amino]propanoic acid
CID 122038999
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-cyano-N-(4-propan-2-ylphenyl)butanamide (CID 82115706) is 3-cyano-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-cyano-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-cyano-N-(4-propan-2-ylphenyl)butanamide is CC(C#N)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-cyano-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is DGACFBYQOYYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)12-4-6-13(7-5-12)16-14(17)8-11(3)9-15/h4-7,10-11H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-cyano-N-(4-propan-2-ylphenyl)butanamide?
3-cyano-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 230.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 82115706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).