2-methyl-N-(methylidenecarbamoyl)butanamide

C7H12N2O2 — CID 166858524

IUPAC2-methyl-N-(methylidenecarbamoyl)butanamide
SMILESC=NC(=O)NC(=O)C(C)CC
InChIInChI=1S/C7H12N2O2/c1-4-5(2)6(10)9-7(11)8-3/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyPAAKGVUWPPFLFF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.97
Rot. Bonds2

About 2-methyl-N-(methylidenecarbamoyl)butanamide

2-methyl-N-(methylidenecarbamoyl)butanamide (PubChem CID 166858524) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methyl-N-(methylidenecarbamoyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(methylidenecarbamoyl)butanamide
PubChem CID166858524
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-methyl-N-(methylidenecarbamoyl)butanamide
SMILESC=NC(=O)NC(=O)C(C)CC
InChIInChI=1S/C7H12N2O2/c1-4-5(2)6(10)9-7(11)8-3/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyPAAKGVUWPPFLFF-UHFFFAOYSA-N
XLogP0.97
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(methylidenecarbamoyl)butanamide?
The IUPAC name of 2-methyl-N-(methylidenecarbamoyl)butanamide (CID 166858524) is 2-methyl-N-(methylidenecarbamoyl)butanamide.
What is the SMILES notation for 2-methyl-N-(methylidenecarbamoyl)butanamide?
The canonical SMILES for 2-methyl-N-(methylidenecarbamoyl)butanamide is C=NC(=O)NC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-(methylidenecarbamoyl)butanamide?
The InChIKey is PAAKGVUWPPFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5(2)6(10)9-7(11)8-3/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-N-(methylidenecarbamoyl)butanamide?
2-methyl-N-(methylidenecarbamoyl)butanamide has a molecular weight of 156.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(methylidenecarbamoyl)butanamide is sourced from PubChem (CID 166858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).