2-(diethylamino)prop-2-enamide

C7H14N2O — CID 19745677

IUPAC2-(diethylamino)prop-2-enamide
SMILESC=C(C(N)=O)N(CC)CC
InChIInChI=1S/C7H14N2O/c1-4-9(5-2)6(3)7(8)10/h3-5H2,1-2H3,(H2,8,10)
InChIKeyNJPYINXHINLEFD-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.33
Rot. Bonds4

About 2-(diethylamino)prop-2-enamide

2-(diethylamino)prop-2-enamide (PubChem CID 19745677) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(diethylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(diethylamino)prop-2-enamide
PubChem CID19745677
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(diethylamino)prop-2-enamide
SMILESC=C(C(N)=O)N(CC)CC
InChIInChI=1S/C7H14N2O/c1-4-9(5-2)6(3)7(8)10/h3-5H2,1-2H3,(H2,8,10)
InChIKeyNJPYINXHINLEFD-UHFFFAOYSA-N
XLogP0.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.33
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-(diethylamino)prop-2-enamide?
The IUPAC name of 2-(diethylamino)prop-2-enamide (CID 19745677) is 2-(diethylamino)prop-2-enamide.
What is the SMILES notation for 2-(diethylamino)prop-2-enamide?
The canonical SMILES for 2-(diethylamino)prop-2-enamide is C=C(C(N)=O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)prop-2-enamide?
The InChIKey is NJPYINXHINLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-9(5-2)6(3)7(8)10/h3-5H2,1-2H3,(H2,8,10).
What are the key properties of 2-(diethylamino)prop-2-enamide?
2-(diethylamino)prop-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)prop-2-enamide is sourced from PubChem (CID 19745677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).