N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide

C22H20N2O2 — CID 2163591

IUPACN-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-2-26-21-11-7-6-10-20(21)16-23-24-22(25)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H,24,25)
InChIKeyWJZSJOOWCDSGOA-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.52
Rot. Bonds6

About N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 2163591) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID2163591
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-2-26-21-11-7-6-10-20(21)16-23-24-22(25)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H,24,25)
InChIKeyWJZSJOOWCDSGOA-UHFFFAOYSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.52
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

4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5416925
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 2163591) is N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide is CCOc1ccccc1C=NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is WJZSJOOWCDSGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-26-21-11-7-6-10-20(21)16-23-24-22(25)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H,24,25).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 2163591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).