(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one

C18H19NO2 — CID 102290866

IUPAC(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one
SMILESCO/C=C/C(=O)CC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-13-12-17(20)14-18(15-8-4-2-5-9-15)19-16-10-6-3-7-11-16/h2-13,18-19H,14H2,1H3/b13-12+
InChIKeyZMVSHTCTJUITHE-OUKQBFOZSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds7

About (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one

(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one (PubChem CID 102290866) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one
PubChem CID102290866
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one
SMILESCO/C=C/C(=O)CC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-13-12-17(20)14-18(15-8-4-2-5-9-15)19-16-10-6-3-7-11-16/h2-13,18-19H,14H2,1H3/b13-12+
InChIKeyZMVSHTCTJUITHE-OUKQBFOZSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
(E,5R)-1-methoxy-5-phenyl-5-trimethylsilyloxypent-1-en-3-one
CID 11000400
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate
CID 102524333
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
methyl 5-anilino-5-phenylpentanoate
CID 11818425
methyl (4S)-4-anilino-2-nitro-4-phenylbutanoate
CID 102395776
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560

Frequently Asked Questions

What is the IUPAC name of (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one?
The IUPAC name of (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one (CID 102290866) is (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one?
The canonical SMILES for (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one is CO/C=C/C(=O)CC(Nc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one?
The InChIKey is ZMVSHTCTJUITHE-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-13-12-17(20)14-18(15-8-4-2-5-9-15)19-16-10-6-3-7-11-16/h2-13,18-19H,14H2,1H3/b13-12+.
What are the key properties of (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one?
(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one has a molecular weight of 281.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one is sourced from PubChem (CID 102290866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).