N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide

C10H13N3O2 — CID 91616878

IUPACN-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
SMILESCOC/C(N)=N\NC(=O)c1ccccc1
InChIInChI=1S/C10H13N3O2/c1-15-7-9(11)12-13-10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)(H,13,14)
InChIKeyIJGDYCICUJXZMX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.34
Rot. Bonds4

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

N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide (PubChem CID 91616878) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
PubChem CID91616878
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
SMILESCOC/C(N)=N\NC(=O)c1ccccc1
InChIInChI=1S/C10H13N3O2/c1-15-7-9(11)12-13-10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)(H,13,14)
InChIKeyIJGDYCICUJXZMX-UHFFFAOYSA-N
XLogP0.34
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.34
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-(2-methylphenoxy)ethylidene]amino]benzamide
CID 10902109
N-(diaminomethylideneamino)benzamide;hydrochloride
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N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
CID 154143836
methyl 2-(benzoylhydrazinylidene)pentanoate
CID 54248555
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide
CID 10823456
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
CID 6112093

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide?
The IUPAC name of N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide (CID 91616878) is N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide.
What is the SMILES notation for N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide?
The canonical SMILES for N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide is COC/C(N)=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide?
The InChIKey is IJGDYCICUJXZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-7-9(11)12-13-10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide?
N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.34, 4 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-methoxyethylidene)amino]benzamide is sourced from PubChem (CID 91616878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).