(E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide

C17H23NO3 — CID 155555277

IUPAC(E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccccc1OC
InChIInChI=1S/C17H23NO3/c1-4-12-18(13-5-2)17(20)11-10-15(19)14-8-6-7-9-16(14)21-3/h6-11H,4-5,12-13H2,1-3H3/b11-10+
InChIKeyGOWJXGXFQZZZCH-ZHACJKMWSA-N
MW289.38 g/mol
LogP3.08
Rot. Bonds8

About (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide

(E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide (PubChem CID 155555277) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide
PubChem CID155555277
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccccc1OC
InChIInChI=1S/C17H23NO3/c1-4-12-18(13-5-2)17(20)11-10-15(19)14-8-6-7-9-16(14)21-3/h6-11H,4-5,12-13H2,1-3H3/b11-10+
InChIKeyGOWJXGXFQZZZCH-ZHACJKMWSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
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-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide (CID 155555277) is (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide is CCCN(CCC)C(=O)/C=C/C(=O)c1ccccc1OC.
What is the InChIKey of (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The InChIKey is GOWJXGXFQZZZCH-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-12-18(13-5-2)17(20)11-10-15(19)14-8-6-7-9-16(14)21-3/h6-11H,4-5,12-13H2,1-3H3/b11-10+.
What are the key properties of (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide?
(E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenyl)-4-oxo-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 155555277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).