3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide

C18H23N3O2 — CID 113134840

IUPAC3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1cccc(C#N)c1
InChIInChI=1S/C18H23N3O2/c1-14(22)21(17-9-5-6-15(12-17)13-19)11-10-18(23)20-16-7-3-2-4-8-16/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3,(H,20,23)
InChIKeyWDOZJXZXTGUSEN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds5

About 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide

3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide (PubChem CID 113134840) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
PubChem CID113134840
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1cccc(C#N)c1
InChIInChI=1S/C18H23N3O2/c1-14(22)21(17-9-5-6-15(12-17)13-19)11-10-18(23)20-16-7-3-2-4-8-16/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3,(H,20,23)
InChIKeyWDOZJXZXTGUSEN-UHFFFAOYSA-N
XLogP2.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide (CID 113134840) is 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide is CC(=O)N(CCC(=O)NC1CCCCC1)c1cccc(C#N)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide?
The InChIKey is WDOZJXZXTGUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(22)21(17-9-5-6-15(12-17)13-19)11-10-18(23)20-16-7-3-2-4-8-16/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide?
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 113134840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).