2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide

C17H19N3O2 — CID 689617

IUPAC2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-14-10-8-13(9-11-14)12(2)19-20-17(21)15-6-4-5-7-16(15)18/h4-11H,3,18H2,1-2H3,(H,20,21)
InChIKeyHWMJUTRIVCUOBI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds5

About 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide

2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide (PubChem CID 689617) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
PubChem CID689617
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-14-10-8-13(9-11-14)12(2)19-20-17(21)15-6-4-5-7-16(15)18/h4-11H,3,18H2,1-2H3,(H,20,21)
InChIKeyHWMJUTRIVCUOBI-UHFFFAOYSA-N
XLogP2.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide (CID 689617) is 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide is CCOc1ccc(C(C)=NNC(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The InChIKey is HWMJUTRIVCUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-14-10-8-13(9-11-14)12(2)19-20-17(21)15-6-4-5-7-16(15)18/h4-11H,3,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 689617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).