N-ethanimidoyl-2-methylpropanamide

C6H12N2O — CID 154046564

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

About N-ethanimidoyl-2-methylpropanamide

N-ethanimidoyl-2-methylpropanamide (PubChem CID 154046564) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-ethanimidoyl-2-methylpropanamide.

Molecular Properties

Compound NameN-ethanimidoyl-2-methylpropanamide
PubChem CID154046564
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-ethanimidoyl-2-methylpropanamide
SMILES[H]/N=C(\C)NC(=O)C(C)C
InChIInChI=1S/C6H12N2O/c1-4(2)6(9)8-5(3)7/h4H,1-3H3,(H2,7,8,9)
InChIKeyTXXQUWLVCVNKFB-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'}

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Related Compounds

N-(2-fluoropropanimidoyl)acetamide
CID 173645007
N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(N-methyl-C-propan-2-ylcarbonimidoyl)acetamide
CID 118408689
N-(1-acetamidoethylidene)-2-methylpropanamide
CID 123825715
N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
CID 134354446
N-(2,2-dimethylpropanimidoyl)acetamide
CID 140440767
N-(2-methylpropanimidoyl)acetamide
CID 142079476
N-butanimidoylacetamide
CID 145288423
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
N-ethanimidoylacetamide
CID 149150437
1-(2-Methylpropanoylamino)ethylideneazanide
CID 149316648
N-ethanimidoylbutanamide
CID 152773111

Frequently Asked Questions

What is the IUPAC name of N-ethanimidoyl-2-methylpropanamide?
The IUPAC name of N-ethanimidoyl-2-methylpropanamide (CID 154046564) is N-ethanimidoyl-2-methylpropanamide.
What is the SMILES notation for N-ethanimidoyl-2-methylpropanamide?
The canonical SMILES for N-ethanimidoyl-2-methylpropanamide is [H]/N=C(\C)NC(=O)C(C)C.
What is the InChIKey of N-ethanimidoyl-2-methylpropanamide?
The InChIKey is TXXQUWLVCVNKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)6(9)8-5(3)7/h4H,1-3H3,(H2,7,8,9).
What are the key properties of N-ethanimidoyl-2-methylpropanamide?
N-ethanimidoyl-2-methylpropanamide 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-ethanimidoyl-2-methylpropanamide is sourced from PubChem (CID 154046564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).