(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide

C15H21NO — CID 6441882

IUPAC(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide
SMILESCCN(CC)C(=O)C/C(C)=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-13(3)11-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+
InChIKeyVSHBKFZWSYFCND-ACCUITESSA-N
MW231.34 g/mol
LogP3.35
Rot. Bonds5

About (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide

(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide (PubChem CID 6441882) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide
PubChem CID6441882
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide
SMILESCCN(CC)C(=O)C/C(C)=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-13(3)11-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+
InChIKeyVSHBKFZWSYFCND-ACCUITESSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide (CID 6441882) is (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide is CCN(CC)C(=O)C/C(C)=C/c1ccccc1.
What is the InChIKey of (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide?
The InChIKey is VSHBKFZWSYFCND-ACCUITESSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-16(5-2)15(17)12-13(3)11-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11+.
What are the key properties of (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide?
(E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 6441882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).