2-(ethylamino)-N-propan-2-ylprop-2-enamide

C8H16N2O — CID 88662783

IUPAC2-(ethylamino)-N-propan-2-ylprop-2-enamide
SMILESC=C(NCC)C(=O)NC(C)C
InChIInChI=1S/C8H16N2O/c1-5-9-7(4)8(11)10-6(2)3/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyJNKWCBIOUBFSKQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.63
Rot. Bonds4

About 2-(ethylamino)-N-propan-2-ylprop-2-enamide

2-(ethylamino)-N-propan-2-ylprop-2-enamide (PubChem CID 88662783) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(ethylamino)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propan-2-ylprop-2-enamide
PubChem CID88662783
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(ethylamino)-N-propan-2-ylprop-2-enamide
SMILESC=C(NCC)C(=O)NC(C)C
InChIInChI=1S/C8H16N2O/c1-5-9-7(4)8(11)10-6(2)3/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyJNKWCBIOUBFSKQ-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-(ethylamino)-N-propan-2-ylprop-2-enamide (CID 88662783) is 2-(ethylamino)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-(ethylamino)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-(ethylamino)-N-propan-2-ylprop-2-enamide is C=C(NCC)C(=O)NC(C)C.
What is the InChIKey of 2-(ethylamino)-N-propan-2-ylprop-2-enamide?
The InChIKey is JNKWCBIOUBFSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-9-7(4)8(11)10-6(2)3/h6,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(ethylamino)-N-propan-2-ylprop-2-enamide?
2-(ethylamino)-N-propan-2-ylprop-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 2-(ethylamino)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 88662783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).