N,N-diethyl-2-oxo-4-phenylbut-3-enamide

C14H17NO2 — CID 57095227

IUPACN,N-diethyl-2-oxo-4-phenylbut-3-enamide
SMILESCCN(CC)C(=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-15(4-2)14(17)13(16)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyTXIYBXDJAQLSMF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds5

About N,N-diethyl-2-oxo-4-phenylbut-3-enamide

N,N-diethyl-2-oxo-4-phenylbut-3-enamide (PubChem CID 57095227) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-4-phenylbut-3-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-4-phenylbut-3-enamide
PubChem CID57095227
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN,N-diethyl-2-oxo-4-phenylbut-3-enamide
SMILESCCN(CC)C(=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-15(4-2)14(17)13(16)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyTXIYBXDJAQLSMF-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
CID 57194236
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(1E,4Z)-4-chloro-1-phenylhepta-1,4-dien-3-one
CID 15046066
(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide
CID 2185858
(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
CID 70158495
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-4-phenylbut-3-enamide?
The IUPAC name of N,N-diethyl-2-oxo-4-phenylbut-3-enamide (CID 57095227) is N,N-diethyl-2-oxo-4-phenylbut-3-enamide.
What is the SMILES notation for N,N-diethyl-2-oxo-4-phenylbut-3-enamide?
The canonical SMILES for N,N-diethyl-2-oxo-4-phenylbut-3-enamide is CCN(CC)C(=O)C(=O)C=Cc1ccccc1.
What is the InChIKey of N,N-diethyl-2-oxo-4-phenylbut-3-enamide?
The InChIKey is TXIYBXDJAQLSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-15(4-2)14(17)13(16)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-oxo-4-phenylbut-3-enamide?
N,N-diethyl-2-oxo-4-phenylbut-3-enamide has a molecular weight of 231.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-4-phenylbut-3-enamide is sourced from PubChem (CID 57095227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).