(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide

C8H16N2O2 — CID 89465056

IUPAC(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCCO
InChIInChI=1S/C8H16N2O2/c1-10(2)6-3-4-8(12)9-5-7-11/h3-4,11H,5-7H2,1-2H3,(H,9,12)/b4-3+
InChIKeyIZRRUAUVDSVKCX-ONEGZZNKSA-N
MW172.23 g/mol
LogP-0.79
Rot. Bonds5

About (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide

(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide (PubChem CID 89465056) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
PubChem CID89465056
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCCO
InChIInChI=1S/C8H16N2O2/c1-10(2)6-3-4-8(12)9-5-7-11/h3-4,11H,5-7H2,1-2H3,(H,9,12)/b4-3+
InChIKeyIZRRUAUVDSVKCX-ONEGZZNKSA-N
XLogP-0.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide (CID 89465056) is (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide is CN(C)C/C=C/C(=O)NCCO.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
The InChIKey is IZRRUAUVDSVKCX-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)6-3-4-8(12)9-5-7-11/h3-4,11H,5-7H2,1-2H3,(H,9,12)/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide is sourced from PubChem (CID 89465056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).