[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium

C15H16N3O3+ — CID 4524744

IUPAC[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
SMILESCOc1ccc(C(=O)Nc2ccccc2C(N)=[NH+]O)cc1
InChIInChI=1S/C15H15N3O3/c1-21-11-8-6-10(7-9-11)15(19)17-13-5-3-2-4-12(13)14(16)18-20/h2-9,20H,1H3,(H2,16,18)(H,17,19)/p+1
InChIKeyWADDFRPHNXRGIP-UHFFFAOYSA-O
MW286.31 g/mol
LogP0.12
Rot. Bonds4

About [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium

[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium (PubChem CID 4524744) has the molecular formula C15H16N3O3+ and a molecular weight of 286.31 g/mol. Its IUPAC name is [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium.

Molecular Properties

Compound Name[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
PubChem CID4524744
Molecular FormulaC15H16N3O3+
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
SMILESCOc1ccc(C(=O)Nc2ccccc2C(N)=[NH+]O)cc1
InChIInChI=1S/C15H15N3O3/c1-21-11-8-6-10(7-9-11)15(19)17-13-5-3-2-4-12(13)14(16)18-20/h2-9,20H,1H3,(H2,16,18)(H,17,19)/p+1
InChIKeyWADDFRPHNXRGIP-UHFFFAOYSA-O
XLogP0.12
TPSA98.55 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.12
H-Bond Donors ≤ 54
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_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422
2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
CID 55524183

Frequently Asked Questions

What is the IUPAC name of [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium?
The IUPAC name of [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium (CID 4524744) is [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium.
What is the SMILES notation for [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium?
The canonical SMILES for [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium is COc1ccc(C(=O)Nc2ccccc2C(N)=[NH+]O)cc1.
What is the InChIKey of [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium?
The InChIKey is WADDFRPHNXRGIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3O3/c1-21-11-8-6-10(7-9-11)15(19)17-13-5-3-2-4-12(13)14(16)18-20/h2-9,20H,1H3,(H2,16,18)(H,17,19)/p+1.
What are the key properties of [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium?
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium has a molecular weight of 286.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium is sourced from PubChem (CID 4524744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).