N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide

C16H20N2O — CID 66408882

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC1Cc2ccccc21
InChIInChI=1S/C16H20N2O/c1-3-16(4-2,11-17)15(19)18-10-13-9-12-7-5-6-8-14(12)13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyOHVOVHGGORVOTF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds5

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide (PubChem CID 66408882) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide
PubChem CID66408882
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC1Cc2ccccc21
InChIInChI=1S/C16H20N2O/c1-3-16(4-2,11-17)15(19)18-10-13-9-12-7-5-6-8-14(12)13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyOHVOVHGGORVOTF-UHFFFAOYSA-N
XLogP2.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide 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

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-carbamothioyl-2-methylbutanamide
CID 114292397
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methoxy-2-methylpropanamide
CID 113233391
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide
CID 66408451
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
CID 78995107
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
(1S,6R)-6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962060
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 66394854

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide (CID 66408882) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NCC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide?
The InChIKey is OHVOVHGGORVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-16(4-2,11-17)15(19)18-10-13-9-12-7-5-6-8-14(12)13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide has a molecular weight of 256.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide is sourced from PubChem (CID 66408882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).