3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide

C17H19N3O3 — CID 110512153

IUPAC3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OC
InChIInChI=1S/C17H19N3O3/c1-3-23-16-9-12(7-8-15(16)22-2)11-19-20-17(21)13-5-4-6-14(18)10-13/h4-11H,3,18H2,1-2H3,(H,20,21)/b19-11-
InChIKeyPUZZQPGRQYQTHS-ODLFYWEKSA-N
MW313.36 g/mol
LogP2.44
Rot. Bonds6

About 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide

3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 110512153) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID110512153
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OC
InChIInChI=1S/C17H19N3O3/c1-3-23-16-9-12(7-8-15(16)22-2)11-19-20-17(21)13-5-4-6-14(18)10-13/h4-11H,3,18H2,1-2H3,(H,20,21)/b19-11-
InChIKeyPUZZQPGRQYQTHS-ODLFYWEKSA-N
XLogP2.44
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
3-amino-N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110512172
3-amino-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110512156
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4255849
ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126208707
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 3777566
[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
CID 126330575

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide (CID 110512153) is 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2cccc(N)c2)ccc1OC.
What is the InChIKey of 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is PUZZQPGRQYQTHS-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-23-16-9-12(7-8-15(16)22-2)11-19-20-17(21)13-5-4-6-14(18)10-13/h4-11H,3,18H2,1-2H3,(H,20,21)/b19-11-.
What are the key properties of 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide?
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).