[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate

C17H15NO4 — CID 72596234

IUPAC[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
SMILESCOc1ccc(C(=O)C(=NOC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-12(19)22-18-16(13-6-4-3-5-7-13)17(20)14-8-10-15(21-2)11-9-14/h3-11H,1-2H3
InChIKeyJCURKPADLNJZLG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.85
Rot. Bonds5

About [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate

[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate (PubChem CID 72596234) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate.

Molecular Properties

Compound Name[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
PubChem CID72596234
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
SMILESCOc1ccc(C(=O)C(=NOC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-12(19)22-18-16(13-6-4-3-5-7-13)17(20)14-8-10-15(21-2)11-9-14/h3-11H,1-2H3
InChIKeyJCURKPADLNJZLG-UHFFFAOYSA-N
XLogP2.85
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[2-oxo-1-phenyl-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate
CID 90823114
[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300297
[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
CID 88820123
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
[[2-oxo-2-[4-[4-(3-oxo-3-phenylprop-1-enyl)phenyl]sulfanylphenyl]-1-phenylethylidene]amino] acetate
CID 156861627
(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone
CID 24828690
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[(4-methoxyphenyl)-triphenyl-λ5-arsanyl] acetate
CID 87786699
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226

Frequently Asked Questions

What is the IUPAC name of [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate?
The IUPAC name of [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate (CID 72596234) is [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate.
What is the SMILES notation for [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate?
The canonical SMILES for [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate is COc1ccc(C(=O)C(=NOC(C)=O)c2ccccc2)cc1.
What is the InChIKey of [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate?
The InChIKey is JCURKPADLNJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-12(19)22-18-16(13-6-4-3-5-7-13)17(20)14-8-10-15(21-2)11-9-14/h3-11H,1-2H3.
What are the key properties of [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate?
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate has a molecular weight of 297.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate is sourced from PubChem (CID 72596234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).