N-acetyl-N-ethyl-2-methylprop-2-enamide

C8H13NO2 — CID 22375235

IUPACN-acetyl-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)C(C)=O
InChIInChI=1S/C8H13NO2/c1-5-9(7(4)10)8(11)6(2)3/h2,5H2,1,3-4H3
InChIKeyYYQYSUBFRSHSEZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds2

About N-acetyl-N-ethyl-2-methylprop-2-enamide

N-acetyl-N-ethyl-2-methylprop-2-enamide (PubChem CID 22375235) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-acetyl-N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-acetyl-N-ethyl-2-methylprop-2-enamide
PubChem CID22375235
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-acetyl-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)C(C)=O
InChIInChI=1S/C8H13NO2/c1-5-9(7(4)10)8(11)6(2)3/h2,5H2,1,3-4H3
InChIKeyYYQYSUBFRSHSEZ-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Maleimide, N-ethyl-2-methyl-
CID 35753
N,N-Dimethylmethacrylamide
CID 81465
N,N-Diethylmethacrylamide
CID 228225
N-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
1-(2-Methylacryloyl)pyrrolidin-2-one
CID 21867967
N,N-Diallylmethacrylamide
CID 228228
N,N-DI-N-Butylmethacrylamide
CID 9990299
1-(2-Methyl-1-oxo-2-propenyl)pyrrolidine
CID 10236010
2-methyl-N,N-di(propan-2-yl)prop-2-enamide
CID 12947886
1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
CID 12119846
1-(Aziridin-1-yl)-2-methylprop-2-en-1-one
CID 13685455
3-Methyl-1-propylpyrrole-2,5-dione
CID 15697210

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-ethyl-2-methylprop-2-enamide?
The IUPAC name of N-acetyl-N-ethyl-2-methylprop-2-enamide (CID 22375235) is N-acetyl-N-ethyl-2-methylprop-2-enamide.
What is the SMILES notation for N-acetyl-N-ethyl-2-methylprop-2-enamide?
The canonical SMILES for N-acetyl-N-ethyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CC)C(C)=O.
What is the InChIKey of N-acetyl-N-ethyl-2-methylprop-2-enamide?
The InChIKey is YYQYSUBFRSHSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-9(7(4)10)8(11)6(2)3/h2,5H2,1,3-4H3.
What are the key properties of N-acetyl-N-ethyl-2-methylprop-2-enamide?
N-acetyl-N-ethyl-2-methylprop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-ethyl-2-methylprop-2-enamide is sourced from PubChem (CID 22375235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).