(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one

C19H21NO — CID 134192833

IUPAC(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one
SMILESCCN(/C=C(\C(C)=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C19H21NO/c1-4-20(19-13-9-8-10-15(19)2)14-18(16(3)21)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3/b18-14+
InChIKeyJAYTWSAUUSRVQU-NBVRZTHBSA-N
MW279.38 g/mol
LogP4.45
Rot. Bonds5

About (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one

(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one (PubChem CID 134192833) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one
PubChem CID134192833
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one
SMILESCCN(/C=C(\C(C)=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C19H21NO/c1-4-20(19-13-9-8-10-15(19)2)14-18(16(3)21)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3/b18-14+
InChIKeyJAYTWSAUUSRVQU-NBVRZTHBSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.45
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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Related Compounds

3-phenylhex-3-en-2-one
CID 130637770
(E)-4-(N-ethylanilino)-N,N-dimethyl-2-oxo-3-phenylbut-3-enamide
CID 129293986
N-(2-hydroxyethyl)-N-(2-methylphenyl)benzamide
CID 91188754
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
(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
diethyl 2-(N-benzoyl-2-methylanilino)propanedioate
CID 13130439
ethyl (E)-3-(N-acetyl-2-methylanilino)prop-2-enoate
CID 102470408
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293885
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one?
The IUPAC name of (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one (CID 134192833) is (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one is CCN(/C=C(\C(C)=O)c1ccccc1)c1ccccc1C.
What is the InChIKey of (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one?
The InChIKey is JAYTWSAUUSRVQU-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-20(19-13-9-8-10-15(19)2)14-18(16(3)21)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3/b18-14+.
What are the key properties of (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one?
(Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(N-ethyl-2-methylanilino)-3-phenylbut-3-en-2-one is sourced from PubChem (CID 134192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).