N-tert-butylprop-2-enamide;2-methylprop-2-enamide

C11H20N2O2 — CID 22623472

IUPACN-tert-butylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C4H7NO/c1-5-6(9)8-7(2,3)4;1-3(2)4(5)6/h5H,1H2,2-4H3,(H,8,9);1H2,2H3,(H2,5,6)
InChIKeyNXVAFMGGFXORAR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.13
Rot. Bonds2

About N-tert-butylprop-2-enamide;2-methylprop-2-enamide

N-tert-butylprop-2-enamide;2-methylprop-2-enamide (PubChem CID 22623472) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;2-methylprop-2-enamide.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;2-methylprop-2-enamide
PubChem CID22623472
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-tert-butylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C4H7NO/c1-5-6(9)8-7(2,3)4;1-3(2)4(5)6/h5H,1H2,2-4H3,(H,8,9);1H2,2H3,(H2,5,6)
InChIKeyNXVAFMGGFXORAR-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide;2-methylprop-2-enamide?
The IUPAC name of N-tert-butylprop-2-enamide;2-methylprop-2-enamide (CID 22623472) is N-tert-butylprop-2-enamide;2-methylprop-2-enamide.
What is the SMILES notation for N-tert-butylprop-2-enamide;2-methylprop-2-enamide?
The canonical SMILES for N-tert-butylprop-2-enamide;2-methylprop-2-enamide is C=C(C)C(N)=O.C=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylprop-2-enamide;2-methylprop-2-enamide?
The InChIKey is NXVAFMGGFXORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C4H7NO/c1-5-6(9)8-7(2,3)4;1-3(2)4(5)6/h5H,1H2,2-4H3,(H,8,9);1H2,2H3,(H2,5,6).
What are the key properties of N-tert-butylprop-2-enamide;2-methylprop-2-enamide?
N-tert-butylprop-2-enamide;2-methylprop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;2-methylprop-2-enamide is sourced from PubChem (CID 22623472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).