N-methoxy-N,2-dimethylbut-2-enamide

C7H13NO2 — CID 76718120

IUPACN-methoxy-N,2-dimethylbut-2-enamide
SMILESCC=C(C)C(=O)N(C)OC
InChIInChI=1S/C7H13NO2/c1-5-6(2)7(9)8(3)10-4/h5H,1-4H3
InChIKeyYENVYYBIQIDROE-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.97
Rot. Bonds2

About N-methoxy-N,2-dimethylbut-2-enamide

N-methoxy-N,2-dimethylbut-2-enamide (PubChem CID 76718120) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-methoxy-N,2-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-methoxy-N,2-dimethylbut-2-enamide
PubChem CID76718120
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-methoxy-N,2-dimethylbut-2-enamide
SMILESCC=C(C)C(=O)N(C)OC
InChIInChI=1S/C7H13NO2/c1-5-6(2)7(9)8(3)10-4/h5H,1-4H3
InChIKeyYENVYYBIQIDROE-UHFFFAOYSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2-dimethylbut-2-enamide?
The IUPAC name of N-methoxy-N,2-dimethylbut-2-enamide (CID 76718120) is N-methoxy-N,2-dimethylbut-2-enamide.
What is the SMILES notation for N-methoxy-N,2-dimethylbut-2-enamide?
The canonical SMILES for N-methoxy-N,2-dimethylbut-2-enamide is CC=C(C)C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N,2-dimethylbut-2-enamide?
The InChIKey is YENVYYBIQIDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-6(2)7(9)8(3)10-4/h5H,1-4H3.
What are the key properties of N-methoxy-N,2-dimethylbut-2-enamide?
N-methoxy-N,2-dimethylbut-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2-dimethylbut-2-enamide is sourced from PubChem (CID 76718120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).