(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide

C15H19NO2 — CID 2185858

IUPAC(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide
SMILESCCN(CC)C(=O)/C(=C\c1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO2/c1-4-16(5-2)15(18)14(12(3)17)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3/b14-11-
InChIKeyVNIBVBFPSPMYCH-KAMYIIQDSA-N
MW245.32 g/mol
LogP2.53
Rot. Bonds5

About (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide

(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide (PubChem CID 2185858) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide.

Molecular Properties

Compound Name(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide
PubChem CID2185858
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide
SMILESCCN(CC)C(=O)/C(=C\c1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO2/c1-4-16(5-2)15(18)14(12(3)17)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3/b14-11-
InChIKeyVNIBVBFPSPMYCH-KAMYIIQDSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(3E,4Z)-3-benzylidene-4-(1-hydroxyethylidene)hexane-2,5-dione
CID 102207031
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
tris(3-benzylidene-6-phenylhex-5-ene-2,4-dione);bis(palladium)
CID 175947090
(3Z)-3-benzylidene-6-(dimethylamino)hexane-2,4-dione
CID 6378193
2-(diethylamino)-1-methylsulfanyl-2-oxo-N-[(E)-1-phenylprop-1-en-2-yl]ethanimine oxide
CID 134920190
ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
CID 6279814
4-benzylidene-1,7-bis(dimethylamino)heptane-3,5-dione;hydrochloride
CID 54611069
2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid
CID 87495750
(3E)-3-benzylidene-4-methylidene-6-propylnonan-2-one
CID 143816437
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
(Z)-N,N-diethyl-2-(2-hydroxy-3-trimethylsilylphenyl)-3-phenylprop-2-enamide
CID 11440040
2-(2-methylbutanoyloxy)ethyl 2-benzylidene-3-oxobutanoate
CID 72515310

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide?
The IUPAC name of (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide (CID 2185858) is (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide.
What is the SMILES notation for (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide?
The canonical SMILES for (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide is CCN(CC)C(=O)/C(=C\c1ccccc1)C(C)=O.
What is the InChIKey of (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide?
The InChIKey is VNIBVBFPSPMYCH-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-16(5-2)15(18)14(12(3)17)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3/b14-11-.
What are the key properties of (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide?
(2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide has a molecular weight of 245.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-N,N-diethyl-3-oxobutanamide is sourced from PubChem (CID 2185858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).