N-(1-acetamidoethylidene)-2-methylpropanamide

C8H14N2O2 — CID 123825715

IUPACN-(1-acetamidoethylidene)-2-methylpropanamide
SMILESCC(=O)N/C(C)=N/C(=O)C(C)C
InChIInChI=1S/C8H14N2O2/c1-5(2)8(12)10-6(3)9-7(4)11/h5H,1-4H3,(H,9,10,11,12)
InChIKeyOQHBWSBUESBSSL-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.72
Rot. Bonds1

About N-(1-acetamidoethylidene)-2-methylpropanamide

N-(1-acetamidoethylidene)-2-methylpropanamide (PubChem CID 123825715) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(1-acetamidoethylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-acetamidoethylidene)-2-methylpropanamide
PubChem CID123825715
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(1-acetamidoethylidene)-2-methylpropanamide
SMILESCC(=O)N/C(C)=N/C(=O)C(C)C
InChIInChI=1S/C8H14N2O2/c1-5(2)8(12)10-6(3)9-7(4)11/h5H,1-4H3,(H,9,10,11,12)
InChIKeyOQHBWSBUESBSSL-UHFFFAOYSA-N
XLogP0.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
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-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide
CID 118327148
N-(N-methyl-C-propan-2-ylcarbonimidoyl)acetamide
CID 118408689
N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
CID 134354446
1-(2-Methylpropanoylamino)ethylideneazanide
CID 149316648
N-ethanimidoyl-2-methylpropanamide
CID 154046564
2,5-dimethylpyrimidine-4,6(1H,5H)-dione
CID 118703351
(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione
CID 124706287

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamidoethylidene)-2-methylpropanamide?
The IUPAC name of N-(1-acetamidoethylidene)-2-methylpropanamide (CID 123825715) is N-(1-acetamidoethylidene)-2-methylpropanamide.
What is the SMILES notation for N-(1-acetamidoethylidene)-2-methylpropanamide?
The canonical SMILES for N-(1-acetamidoethylidene)-2-methylpropanamide is CC(=O)N/C(C)=N/C(=O)C(C)C.
What is the InChIKey of N-(1-acetamidoethylidene)-2-methylpropanamide?
The InChIKey is OQHBWSBUESBSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)8(12)10-6(3)9-7(4)11/h5H,1-4H3,(H,9,10,11,12).
What are the key properties of N-(1-acetamidoethylidene)-2-methylpropanamide?
N-(1-acetamidoethylidene)-2-methylpropanamide has a molecular weight of 170.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamidoethylidene)-2-methylpropanamide is sourced from PubChem (CID 123825715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).