4-(tert-butylamino)but-3-enamide

C8H16N2O — CID 123960253

IUPAC4-(tert-butylamino)but-3-enamide
SMILESCC(C)(C)NC=CCC(N)=O
InChIInChI=1S/C8H16N2O/c1-8(2,3)10-6-4-5-7(9)11/h4,6,10H,5H2,1-3H3,(H2,9,11)
InChIKeyTVZPGLCFQWQHKH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.76
Rot. Bonds3

About 4-(tert-butylamino)but-3-enamide

4-(tert-butylamino)but-3-enamide (PubChem CID 123960253) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(tert-butylamino)but-3-enamide.

Molecular Properties

Compound Name4-(tert-butylamino)but-3-enamide
PubChem CID123960253
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(tert-butylamino)but-3-enamide
SMILESCC(C)(C)NC=CCC(N)=O
InChIInChI=1S/C8H16N2O/c1-8(2,3)10-6-4-5-7(9)11/h4,6,10H,5H2,1-3H3,(H2,9,11)
InChIKeyTVZPGLCFQWQHKH-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(tert-butylamino)but-3-enamide 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

ethene;hex-3-enediamide
CID 173451408
13,13-dimethyltetradeca-3,7,11-trienamide
CID 154015526
(3E,5E)-octa-3,5-dienamide
CID 55289592
methyl (E)-3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]prop-2-enoate
CID 106097408
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
[(E)-4-amino-4-oxobut-1-enyl]boronic acid
CID 11137186
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
nonadec-3-enamide
CID 54215031
3-[[(E)-3-chloroprop-2-enyl]amino]-3-methylbutanamide
CID 104580489
formaldehyde;propanediamide
CID 161283557
N,N'-ditert-butylhexanediamide
CID 3593481
(E)-N'-tert-butyl-N-methylethene-1,2-diamine
CID 102011692

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)but-3-enamide?
The IUPAC name of 4-(tert-butylamino)but-3-enamide (CID 123960253) is 4-(tert-butylamino)but-3-enamide.
What is the SMILES notation for 4-(tert-butylamino)but-3-enamide?
The canonical SMILES for 4-(tert-butylamino)but-3-enamide is CC(C)(C)NC=CCC(N)=O.
What is the InChIKey of 4-(tert-butylamino)but-3-enamide?
The InChIKey is TVZPGLCFQWQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)10-6-4-5-7(9)11/h4,6,10H,5H2,1-3H3,(H2,9,11).
What are the key properties of 4-(tert-butylamino)but-3-enamide?
4-(tert-butylamino)but-3-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)but-3-enamide is sourced from PubChem (CID 123960253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).