N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide

C23H22N2O3 — CID 4933037

IUPACN-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
SMILESCCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H22N2O3/c1-2-22(18-8-12-20(26)13-9-18)24-25-23(27)19-10-14-21(15-11-19)28-16-17-6-4-3-5-7-17/h3-15,26H,2,16H2,1H3,(H,25,27)
InChIKeyGKIPLEXJMUMUKT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.52
Rot. Bonds7

About N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide

N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4933037) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
PubChem CID4933037
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
SMILESCCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H22N2O3/c1-2-22(18-8-12-20(26)13-9-18)24-25-23(27)19-10-14-21(15-11-19)28-16-17-6-4-3-5-7-17/h3-15,26H,2,16H2,1H3,(H,25,27)
InChIKeyGKIPLEXJMUMUKT-UHFFFAOYSA-N
XLogP4.52
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide (CID 4933037) is N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide is CCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is GKIPLEXJMUMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-22(18-8-12-20(26)13-9-18)24-25-23(27)19-10-14-21(15-11-19)28-16-17-6-4-3-5-7-17/h3-15,26H,2,16H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide?
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4933037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).