N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide

C8H16N2O — CID 18325514

IUPACN-[1-(ethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)NCC
InChIInChI=1S/C8H16N2O/c1-5-9-7(4)10-8(11)6(2)3/h7,9H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyQCFPOQZTPAVMOK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.63
Rot. Bonds4

About N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide

N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 18325514) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(ethylamino)ethyl]-2-methylprop-2-enamide
PubChem CID18325514
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[1-(ethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)NCC
InChIInChI=1S/C8H16N2O/c1-5-9-7(4)10-8(11)6(2)3/h7,9H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyQCFPOQZTPAVMOK-UHFFFAOYSA-N
XLogP0.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide (CID 18325514) is N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)NCC.
What is the InChIKey of N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is QCFPOQZTPAVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-9-7(4)10-8(11)6(2)3/h7,9H,2,5H2,1,3-4H3,(H,10,11).
What are the key properties of N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide?
N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18325514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).