N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide

C16H17N3O2 — CID 10902109

IUPACN-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide
SMILESCc1ccccc1OC/C(N)=N\NC(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-12-7-5-6-10-14(12)21-11-15(17)18-19-16(20)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18)(H,19,20)
InChIKeyNDVDVTBNBSONIP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.08
Rot. Bonds5

About N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide

N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide (PubChem CID 10902109) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide
PubChem CID10902109
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide
SMILESCc1ccccc1OC/C(N)=N\NC(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-12-7-5-6-10-14(12)21-11-15(17)18-19-16(20)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18)(H,19,20)
InChIKeyNDVDVTBNBSONIP-UHFFFAOYSA-N
XLogP2.08
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.08
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
CID 91616878
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
(Z)-1-(2-methylphenoxy)but-2-en-2-amine
CID 167112053
sodium 2-(2-methylphenoxy)acetate
CID 23664336
N-(pentan-3-ylideneamino)benzamide
CID 4611553
lithium 2-(2-methylphenoxy)acetate
CID 19205696

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide?
The IUPAC name of N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide (CID 10902109) is N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide is Cc1ccccc1OC/C(N)=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide?
The InChIKey is NDVDVTBNBSONIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-7-5-6-10-14(12)21-11-15(17)18-19-16(20)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide?
N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-amino-2-(2-methylphenoxy)ethylidene]amino]benzamide is sourced from PubChem (CID 10902109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).