2-(but-3-en-2-ylamino)-2-methylpropanamide

C8H16N2O — CID 107906717

IUPAC2-(but-3-en-2-ylamino)-2-methylpropanamide
SMILESC=CC(C)NC(C)(C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-5-6(2)10-8(3,4)7(9)11/h5-6,10H,1H2,2-4H3,(H2,9,11)
InChIKeyALGBFRGYPCHJJH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.41
Rot. Bonds4

About 2-(but-3-en-2-ylamino)-2-methylpropanamide

2-(but-3-en-2-ylamino)-2-methylpropanamide (PubChem CID 107906717) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(but-3-en-2-ylamino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(but-3-en-2-ylamino)-2-methylpropanamide
PubChem CID107906717
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(but-3-en-2-ylamino)-2-methylpropanamide
SMILESC=CC(C)NC(C)(C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-5-6(2)10-8(3,4)7(9)11/h5-6,10H,1H2,2-4H3,(H2,9,11)
InChIKeyALGBFRGYPCHJJH-UHFFFAOYSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(but-3-en-2-ylamino)-2-methylpropanamide 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-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol
CID 107907644
N-but-3-en-2-yl-2-cyano-2-methylpropanamide
CID 115692171
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
2-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]propanamide
CID 61219195
2-(hydroxyamino)-2-methylpropanamide
CID 523203
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methylpentanamide
CID 130214691
2-[1-(2,6-dihydroxyphenyl)ethylamino]-2-methylpropanamide
CID 107710838
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylpentanamide
CID 163254959
2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid
CID 83041307
2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
CID 61219044

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-ylamino)-2-methylpropanamide?
The IUPAC name of 2-(but-3-en-2-ylamino)-2-methylpropanamide (CID 107906717) is 2-(but-3-en-2-ylamino)-2-methylpropanamide.
What is the SMILES notation for 2-(but-3-en-2-ylamino)-2-methylpropanamide?
The canonical SMILES for 2-(but-3-en-2-ylamino)-2-methylpropanamide is C=CC(C)NC(C)(C)C(N)=O.
What is the InChIKey of 2-(but-3-en-2-ylamino)-2-methylpropanamide?
The InChIKey is ALGBFRGYPCHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-6(2)10-8(3,4)7(9)11/h5-6,10H,1H2,2-4H3,(H2,9,11).
What are the key properties of 2-(but-3-en-2-ylamino)-2-methylpropanamide?
2-(but-3-en-2-ylamino)-2-methylpropanamide has a molecular weight of 156.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylamino)-2-methylpropanamide is sourced from PubChem (CID 107906717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).