(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide

C15H21NO2 — CID 6366180

IUPAC(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide
SMILESCCN(CC)C(=O)/C=C(\C)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2/c1-5-16(6-2)15(17)11-12(3)13-7-9-14(18-4)10-8-13/h7-11H,5-6H2,1-4H3/b12-11+
InChIKeyTUIAWEVUTJCRGU-VAWYXSNFSA-N
MW247.34 g/mol
LogP2.97
Rot. Bonds5

About (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide

(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide (PubChem CID 6366180) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide
PubChem CID6366180
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide
SMILESCCN(CC)C(=O)/C=C(\C)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2/c1-5-16(6-2)15(17)11-12(3)13-7-9-14(18-4)10-8-13/h7-11H,5-6H2,1-4H3/b12-11+
InChIKeyTUIAWEVUTJCRGU-VAWYXSNFSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide (CID 6366180) is (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide is CCN(CC)C(=O)/C=C(\C)c1ccc(OC)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide?
The InChIKey is TUIAWEVUTJCRGU-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-16(6-2)15(17)11-12(3)13-7-9-14(18-4)10-8-13/h7-11H,5-6H2,1-4H3/b12-11+.
What are the key properties of (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide?
(E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(4-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 6366180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).