N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide

C12H22N2O2 — CID 23287262

IUPACN-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide
SMILESC=C(C)C(=O)NCC.C=CC(=O)NCCC
InChIInChI=1S/2C6H11NO/c1-4-7-6(8)5(2)3;1-3-5-7-6(8)4-2/h2,4H2,1,3H3,(H,7,8);4H,2-3,5H2,1H3,(H,7,8)
InChIKeyIZASUORXRXLHKA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.40
Rot. Bonds5

About N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide

N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide (PubChem CID 23287262) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide
PubChem CID23287262
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide
SMILESC=C(C)C(=O)NCC.C=CC(=O)NCCC
InChIInChI=1S/2C6H11NO/c1-4-7-6(8)5(2)3;1-3-5-7-6(8)4-2/h2,4H2,1,3H3,(H,7,8);4H,2-3,5H2,1H3,(H,7,8)
InChIKeyIZASUORXRXLHKA-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide?
The IUPAC name of N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide (CID 23287262) is N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide.
What is the SMILES notation for N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide?
The canonical SMILES for N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide is C=C(C)C(=O)NCC.C=CC(=O)NCCC.
What is the InChIKey of N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide?
The InChIKey is IZASUORXRXLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO/c1-4-7-6(8)5(2)3;1-3-5-7-6(8)4-2/h2,4H2,1,3H3,(H,7,8);4H,2-3,5H2,1H3,(H,7,8).
What are the key properties of N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide?
N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylprop-2-enamide;N-propylprop-2-enamide is sourced from PubChem (CID 23287262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).