[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium

C16H17N2O3+ — CID 3452210

IUPAC[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium
SMILESCOc1ccc(C(N)=[NH+]OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-9-7-13(8-10-14)16(17)18-21-15(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18)/p+1
InChIKeySBPPSIQHCKRXSP-UHFFFAOYSA-O
MW285.32 g/mol
LogP0.18
Rot. Bonds5

About [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium

[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium (PubChem CID 3452210) has the molecular formula C16H17N2O3+ and a molecular weight of 285.32 g/mol. Its IUPAC name is [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium.

Molecular Properties

Compound Name[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium
PubChem CID3452210
Molecular FormulaC16H17N2O3+
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium
SMILESCOc1ccc(C(N)=[NH+]OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-9-7-13(8-10-14)16(17)18-21-15(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18)/p+1
InChIKeySBPPSIQHCKRXSP-UHFFFAOYSA-O
XLogP0.18
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium
CID 6340724
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[amino-(4-methoxyphenyl)methylidene]-[2-(4-chloro-2-methylphenoxy)acetyl]oxyazanium
CID 3446606
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
[amino-(3-methoxyphenyl)methylidene]-[2-(2-nitrophenyl)acetyl]oxyazanium
CID 6343247
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131

Frequently Asked Questions

What is the IUPAC name of [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium?
The IUPAC name of [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium (CID 3452210) is [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium.
What is the SMILES notation for [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium?
The canonical SMILES for [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium is COc1ccc(C(N)=[NH+]OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium?
The InChIKey is SBPPSIQHCKRXSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-9-7-13(8-10-14)16(17)18-21-15(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18)/p+1.
What are the key properties of [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium?
[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium has a molecular weight of 285.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium is sourced from PubChem (CID 3452210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).