(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide

C20H22N2O2 — CID 129293986

IUPAC(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide
SMILESCCN(/C=C(/C(=O)C(=O)N(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-4-22(17-13-9-6-10-14-17)15-18(16-11-7-5-8-12-16)19(23)20(24)21(2)3/h5-15H,4H2,1-3H3/b18-15+
InChIKeyAOXBKDZVFMSRMI-OBGWFSINSA-N
MW322.41 g/mol
LogP3.21
Rot. Bonds6

About (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide

(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide (PubChem CID 129293986) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide
PubChem CID129293986
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide
SMILESCCN(/C=C(/C(=O)C(=O)N(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-4-22(17-13-9-6-10-14-17)15-18(16-11-7-5-8-12-16)19(23)20(24)21(2)3/h5-15H,4H2,1-3H3/b18-15+
InChIKeyAOXBKDZVFMSRMI-OBGWFSINSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1E,8E)-1,9-bis(N-ethylanilino)-4,4,6,6-tetrafluoro-5-methylidene-2,8-diphenylnona-1,8-diene-3,7-dione;propane
CID 145337069
(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293885
(Z)-4-(N-ethyl-4-propan-2-ylanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 134192725
(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one
CID 134192833
(3Z)-3-[(N-ethylanilino)methylidene]-1,1,1-trifluoro-4-methylhexan-2-one
CID 129293863
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
(Z)-4-[ethyl-[4-[ethyl-[(Z)-4,4,4-trifluoro-3-oxo-2-phenylbut-1-enyl]amino]butyl]amino]-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293830
1-(dimethylamino)-2-phenylhex-1-en-3-one
CID 67384334
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
(Z)-N-butyl-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108833684
ethyl 2-(3-bromophenyl)-3-[N-(2-methylpropyl)anilino]prop-2-enoate
CID 91045017
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450

Frequently Asked Questions

What is the IUPAC name of (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide?
The IUPAC name of (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide (CID 129293986) is (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide.
What is the SMILES notation for (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide?
The canonical SMILES for (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide is CCN(/C=C(/C(=O)C(=O)N(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide?
The InChIKey is AOXBKDZVFMSRMI-OBGWFSINSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-22(17-13-9-6-10-14-17)15-18(16-11-7-5-8-12-16)19(23)20(24)21(2)3/h5-15H,4H2,1-3H3/b18-15+.
What are the key properties of (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide?
(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide is sourced from PubChem (CID 129293986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).