(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one

C16H15NO2 — CID 101424539

IUPAC(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one
SMILESN/C(=C\C(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c17-16(13-7-3-1-4-8-13)11-14(18)12-19-15-9-5-2-6-10-15/h1-11H,12,17H2/b16-11-
InChIKeyINSXLPCVFGQYQV-WJDWOHSUSA-N
MW253.30 g/mol
LogP2.63
Rot. Bonds5

About (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one

(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one (PubChem CID 101424539) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one
PubChem CID101424539
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one
SMILESN/C(=C\C(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c17-16(13-7-3-1-4-8-13)11-14(18)12-19-15-9-5-2-6-10-15/h1-11H,12,17H2/b16-11-
InChIKeyINSXLPCVFGQYQV-WJDWOHSUSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.63
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

potassium;hydride;2-phenoxyacetamide
CID 175513799
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
CID 51040868
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-phenoxyacetic acid;titanium
CID 174896747
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
phenol;2-phenoxy-1-phenylethanone
CID 161484281
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
2-phenoxyethyl 3,3-diphenylprop-2-enoate
CID 71400914

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one?
The IUPAC name of (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one (CID 101424539) is (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one is N/C(=C\C(=O)COc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one?
The InChIKey is INSXLPCVFGQYQV-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H15NO2/c17-16(13-7-3-1-4-8-13)11-14(18)12-19-15-9-5-2-6-10-15/h1-11H,12,17H2/b16-11-.
What are the key properties of (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one?
(Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-phenoxy-4-phenylbut-3-en-2-one is sourced from PubChem (CID 101424539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).