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

C17H18N2O2 — CID 912000

IUPACN-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-16-11-9-14(10-12-16)13(2)18-19-17(20)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyHVYRHOYVXXXRMQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds5

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

N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide (PubChem CID 912000) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
PubChem CID912000
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-16-11-9-14(10-12-16)13(2)18-19-17(20)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyHVYRHOYVXXXRMQ-UHFFFAOYSA-N
XLogP3.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide (CID 912000) is N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide is CCOc1ccc(C(C)=NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The InChIKey is HVYRHOYVXXXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-16-11-9-14(10-12-16)13(2)18-19-17(20)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 912000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).