N-(2-methylpropanimidoyl)acetamide

C6H12N2O — CID 142079476

IUPACN-(2-methylpropanimidoyl)acetamide
SMILES[H]/N=C(/NC(C)=O)C(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)6(7)8-5(3)9/h4H,1-3H3,(H2,7,8,9)
InChIKeyQCMBAVBQVZQPLX-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.76
Rot. Bonds1

About N-(2-methylpropanimidoyl)acetamide

N-(2-methylpropanimidoyl)acetamide (PubChem CID 142079476) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(2-methylpropanimidoyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropanimidoyl)acetamide
PubChem CID142079476
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(2-methylpropanimidoyl)acetamide
SMILES[H]/N=C(/NC(C)=O)C(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)6(7)8-5(3)9/h4H,1-3H3,(H2,7,8,9)
InChIKeyQCMBAVBQVZQPLX-UHFFFAOYSA-N
XLogP0.76
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(2-methylpropanimidoyl)acetamide 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-(2-oxopropanimidoyl)acetamide
CID 152749756
tris(N-acetylacetamide);gallane
CID 175572719
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
N-acetyl-4-methyl-3-oxopentanamide
CID 12820668
N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide
CID 155029833
N-acetyl-2-methylbutanamide
CID 59565834
2-imino-3-methylbutanoyl chloride
CID 142079723
2-methylpropanimidamide;hydrochloride
CID 2782053
1-ethanimidoyl-3-methylurea
CID 152774406
(N-acetyl-N'-methylcarbamimidoyl) 2,2-dimethylpropanimidothioate
CID 89054161
(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide
CID 176540922
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanimidoyl)acetamide?
The IUPAC name of N-(2-methylpropanimidoyl)acetamide (CID 142079476) is N-(2-methylpropanimidoyl)acetamide.
What is the SMILES notation for N-(2-methylpropanimidoyl)acetamide?
The canonical SMILES for N-(2-methylpropanimidoyl)acetamide is [H]/N=C(/NC(C)=O)C(C)C.
What is the InChIKey of N-(2-methylpropanimidoyl)acetamide?
The InChIKey is QCMBAVBQVZQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)6(7)8-5(3)9/h4H,1-3H3,(H2,7,8,9).
What are the key properties of N-(2-methylpropanimidoyl)acetamide?
N-(2-methylpropanimidoyl)acetamide has a molecular weight of 128.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanimidoyl)acetamide is sourced from PubChem (CID 142079476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).