2-methoxy-N-propan-2-ylprop-2-enamide

C7H13NO2 — CID 13399116

IUPAC2-methoxy-N-propan-2-ylprop-2-enamide
SMILESC=C(OC)C(=O)NC(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)8-7(9)6(3)10-4/h5H,3H2,1-2,4H3,(H,8,9)
InChIKeyGIIVBOJRXHDBRY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.67
Rot. Bonds3

About 2-methoxy-N-propan-2-ylprop-2-enamide

2-methoxy-N-propan-2-ylprop-2-enamide (PubChem CID 13399116) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-methoxy-N-propan-2-ylprop-2-enamide
PubChem CID13399116
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methoxy-N-propan-2-ylprop-2-enamide
SMILESC=C(OC)C(=O)NC(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)8-7(9)6(3)10-4/h5H,3H2,1-2,4H3,(H,8,9)
InChIKeyGIIVBOJRXHDBRY-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-methoxy-N-propan-2-ylprop-2-enamide (CID 13399116) is 2-methoxy-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-methoxy-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-methoxy-N-propan-2-ylprop-2-enamide is C=C(OC)C(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-ylprop-2-enamide?
The InChIKey is GIIVBOJRXHDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)8-7(9)6(3)10-4/h5H,3H2,1-2,4H3,(H,8,9).
What are the key properties of 2-methoxy-N-propan-2-ylprop-2-enamide?
2-methoxy-N-propan-2-ylprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 13399116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).