2-[(dimethylamino)methyl]-N-ethylprop-2-enamide

C8H16N2O — CID 87351215

IUPAC2-[(dimethylamino)methyl]-N-ethylprop-2-enamide
SMILESC=C(CN(C)C)C(=O)NCC
InChIInChI=1S/C8H16N2O/c1-5-9-8(11)7(2)6-10(3)4/h2,5-6H2,1,3-4H3,(H,9,11)
InChIKeyGLNFYTXZNFKXTN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.24
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide

2-[(dimethylamino)methyl]-N-ethylprop-2-enamide (PubChem CID 87351215) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-ethylprop-2-enamide
PubChem CID87351215
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[(dimethylamino)methyl]-N-ethylprop-2-enamide
SMILESC=C(CN(C)C)C(=O)NCC
InChIInChI=1S/C8H16N2O/c1-5-9-8(11)7(2)6-10(3)4/h2,5-6H2,1,3-4H3,(H,9,11)
InChIKeyGLNFYTXZNFKXTN-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
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 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide (CID 87351215) is 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide is C=C(CN(C)C)C(=O)NCC.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide?
The InChIKey is GLNFYTXZNFKXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-9-8(11)7(2)6-10(3)4/h2,5-6H2,1,3-4H3,(H,9,11).
What are the key properties of 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide?
2-[(dimethylamino)methyl]-N-ethylprop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 87351215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).