(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one

C19H21NO2 — CID 91872186

IUPAC(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
SMILESCOC(C)(C)/C(=C/C(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,22-3)18(20-16-12-8-5-9-13-16)14-17(21)15-10-6-4-7-11-15/h4-14,20H,1-3H3/b18-14-
InChIKeyCBFAXJKQFZLWRI-JXAWBTAJSA-N
MW295.38 g/mol
LogP4.29
Rot. Bonds6

About (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one

(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one (PubChem CID 91872186) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
PubChem CID91872186
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
SMILESCOC(C)(C)/C(=C/C(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,22-3)18(20-16-12-8-5-9-13-16)14-17(21)15-10-6-4-7-11-15/h4-14,20H,1-3H3/b18-14-
InChIKeyCBFAXJKQFZLWRI-JXAWBTAJSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-anilino-4-methoxy-4-methyl-1-(4-nitrophenyl)pent-2-en-1-one
CID 91872179
methyl 2-anilino-4-oxo-4-phenylbut-2-enoate
CID 790046
bis((Z)-3-anilino-4,4,4-trifluoro-1-phenylbut-2-en-1-one);dichlorotitanium
CID 11216193
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
CID 162340783
2-(4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 619819
(Z)-3-anilino-1-(4-methylphenyl)-3-methylsulfanylprop-2-en-1-one
CID 13238136
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
methyl (Z)-4-oxo-4-phenyl-2-sulfanylbut-2-enoate
CID 143031018
(Z)-3-anilino-1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one
CID 12884917

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
The IUPAC name of (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one (CID 91872186) is (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one.
What is the SMILES notation for (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
The canonical SMILES for (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one is COC(C)(C)/C(=C/C(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
The InChIKey is CBFAXJKQFZLWRI-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,22-3)18(20-16-12-8-5-9-13-16)14-17(21)15-10-6-4-7-11-15/h4-14,20H,1-3H3/b18-14-.
What are the key properties of (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one has a molecular weight of 295.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one is sourced from PubChem (CID 91872186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).