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

C8H16N2O — CID 18325528

IUPACN-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCC
InChIInChI=1S/C8H16N2O/c1-4-9-5-6-10-8(11)7(2)3/h9H,2,4-6H2,1,3H3,(H,10,11)
InChIKeyWDWHRQRYNOSKLN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.29
Rot. Bonds5

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

N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 18325528) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
PubChem CID18325528
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCC
InChIInChI=1S/C8H16N2O/c1-4-9-5-6-10-8(11)7(2)3/h9H,2,4-6H2,1,3H3,(H,10,11)
InChIKeyWDWHRQRYNOSKLN-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(ethylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide (CID 18325528) is N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNCC.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is WDWHRQRYNOSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-9-5-6-10-8(11)7(2)3/h9H,2,4-6H2,1,3H3,(H,10,11).
What are the key properties of N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide?
N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18325528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).