N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide

C12H19N3O2 — CID 114142909

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)(C)CC(N)=O)C1
InChIInChI=1S/C12H19N3O2/c1-8-4-12(5-8,7-13)10(17)15-11(2,3)6-9(14)16/h8H,4-6H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyGYHFADCSECIAGR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 114142909) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID114142909
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)(C)CC(N)=O)C1
InChIInChI=1S/C12H19N3O2/c1-8-4-12(5-8,7-13)10(17)15-11(2,3)6-9(14)16/h8H,4-6H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyGYHFADCSECIAGR-UHFFFAOYSA-N
XLogP0.70
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80502397
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845
N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 131239055
1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 113471745
1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
CID 103770292
1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide
CID 80592452
N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
CID 114417346
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide (CID 114142909) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC(C)(C)CC(N)=O)C1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is GYHFADCSECIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-12(5-8,7-13)10(17)15-11(2,3)6-9(14)16/h8H,4-6H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 114142909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).