N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide

C22H20N2O3 — CID 4933076

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
SMILESCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C22H20N2O3/c1-16(20-9-5-6-10-21(20)25)23-24-22(26)18-11-13-19(14-12-18)27-15-17-7-3-2-4-8-17/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyVJAJXWCXPOJMOB-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.13
Rot. Bonds6

About N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide

N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4933076) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
PubChem CID4933076
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
SMILESCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1O
InChIInChI=1S/C22H20N2O3/c1-16(20-9-5-6-10-21(20)25)23-24-22(26)18-11-13-19(14-12-18)27-15-17-7-3-2-4-8-17/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyVJAJXWCXPOJMOB-UHFFFAOYSA-N
XLogP4.13
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
CID 4240116
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide (CID 4933076) is N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide is CC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is VJAJXWCXPOJMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(20-9-5-6-10-21(20)25)23-24-22(26)18-11-13-19(14-12-18)27-15-17-7-3-2-4-8-17/h2-14,25H,15H2,1H3,(H,24,26).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4933076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).