N,N-diacetyl-2-methylprop-2-enamide

C8H11NO3 — CID 22336365

IUPACN,N-diacetyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(C)=O)C(C)=O
InChIInChI=1S/C8H11NO3/c1-5(2)8(12)9(6(3)10)7(4)11/h1H2,2-4H3
InChIKeyVHFSIUXERRLSJV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds1

About N,N-diacetyl-2-methylprop-2-enamide

N,N-diacetyl-2-methylprop-2-enamide (PubChem CID 22336365) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N,N-diacetyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-diacetyl-2-methylprop-2-enamide
PubChem CID22336365
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN,N-diacetyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(C)=O)C(C)=O
InChIInChI=1S/C8H11NO3/c1-5(2)8(12)9(6(3)10)7(4)11/h1H2,2-4H3
InChIKeyVHFSIUXERRLSJV-UHFFFAOYSA-N
XLogP0.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-diacetylacetamide;trihydrochloride
CID 173022405
2-methyl-N-(2-methylprop-2-enoyl)-N-(3-methylsulfanylpropanoyl)prop-2-enamide
CID 139970761
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
CID 153499824
N',N',2-trimethyl-N-prop-1-en-2-ylprop-2-enehydrazide
CID 15525104
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582937
N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 175383713
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide
CID 20554156
ethane;N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582936

Frequently Asked Questions

What is the IUPAC name of N,N-diacetyl-2-methylprop-2-enamide?
The IUPAC name of N,N-diacetyl-2-methylprop-2-enamide (CID 22336365) is N,N-diacetyl-2-methylprop-2-enamide.
What is the SMILES notation for N,N-diacetyl-2-methylprop-2-enamide?
The canonical SMILES for N,N-diacetyl-2-methylprop-2-enamide is C=C(C)C(=O)N(C(C)=O)C(C)=O.
What is the InChIKey of N,N-diacetyl-2-methylprop-2-enamide?
The InChIKey is VHFSIUXERRLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)8(12)9(6(3)10)7(4)11/h1H2,2-4H3.
What are the key properties of N,N-diacetyl-2-methylprop-2-enamide?
N,N-diacetyl-2-methylprop-2-enamide has a molecular weight of 169.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diacetyl-2-methylprop-2-enamide is sourced from PubChem (CID 22336365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).