2-methyl-N-(2-methylpropanimidoyl)propanamide

C8H16N2O — CID 154038986

IUPAC2-methyl-N-(2-methylpropanimidoyl)propanamide
SMILES[H]/N=C(/NC(=O)C(C)C)C(C)C
InChIInChI=1S/C8H16N2O/c1-5(2)7(9)10-8(11)6(3)4/h5-6H,1-4H3,(H2,9,10,11)
InChIKeyUJPXKPMYJCVFCB-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.39
Rot. Bonds2

About 2-methyl-N-(2-methylpropanimidoyl)propanamide

2-methyl-N-(2-methylpropanimidoyl)propanamide (PubChem CID 154038986) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropanimidoyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropanimidoyl)propanamide
PubChem CID154038986
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-methyl-N-(2-methylpropanimidoyl)propanamide
SMILES[H]/N=C(/NC(=O)C(C)C)C(C)C
InChIInChI=1S/C8H16N2O/c1-5(2)7(9)10-8(11)6(3)4/h5-6H,1-4H3,(H2,9,10,11)
InChIKeyUJPXKPMYJCVFCB-UHFFFAOYSA-N
XLogP1.39
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.39
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-(2,2-dimethylpropanimidoyl)acetamide
CID 140440767
2-methyl-N-(4-methylpentanimidoyl)propanamide
CID 140915600
N-(2-methylpropanimidoyl)acetamide
CID 142079476
ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
CID 143223997
N-butanimidoylacetamide
CID 145288423
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
N-(2-methylpropanimidoyl)hexanamide
CID 148065266
1-(2-Methylpropanoylamino)ethylideneazanide
CID 149316648
N-ethanimidoylpropanamide
CID 154041938
N-ethanimidoyl-2-methylpropanamide
CID 154046564
N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide
CID 156522388
N-hexanimidoylacetamide
CID 162117691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropanimidoyl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylpropanimidoyl)propanamide (CID 154038986) is 2-methyl-N-(2-methylpropanimidoyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropanimidoyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylpropanimidoyl)propanamide is [H]/N=C(/NC(=O)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropanimidoyl)propanamide?
The InChIKey is UJPXKPMYJCVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(2)7(9)10-8(11)6(3)4/h5-6H,1-4H3,(H2,9,10,11).
What are the key properties of 2-methyl-N-(2-methylpropanimidoyl)propanamide?
2-methyl-N-(2-methylpropanimidoyl)propanamide has a molecular weight of 156.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropanimidoyl)propanamide is sourced from PubChem (CID 154038986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).