N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide

C35H30N2O4 — CID 4523906

IUPACN-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
SMILESO=C(NN=Cc1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C35H30N2O4/c38-35(37-36-23-27-13-5-1-6-14-27)31-21-32(39-24-28-15-7-2-8-16-28)34(41-26-30-19-11-4-12-20-30)33(22-31)40-25-29-17-9-3-10-18-29/h1-23H,24-26H2,(H,37,38)
InChIKeyVTGRCDPJIRJVRH-UHFFFAOYSA-N
MW542.64 g/mol
LogP7.19
Rot. Bonds12

About N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide

N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide (PubChem CID 4523906) has the molecular formula C35H30N2O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
PubChem CID4523906
Molecular FormulaC35H30N2O4
Molecular Weight542.64 g/mol
Exact Mass542.22
IUPAC NameN-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
SMILESO=C(NN=Cc1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C35H30N2O4/c38-35(37-36-23-27-13-5-1-6-14-27)31-21-32(39-24-28-15-7-2-8-16-28)34(41-26-30-19-11-4-12-20-30)33(22-31)40-25-29-17-9-3-10-18-29/h1-23H,24-26H2,(H,37,38)
InChIKeyVTGRCDPJIRJVRH-UHFFFAOYSA-N
XLogP7.19
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide
CID 136899957
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]-3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzamide
CID 177456337
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 126320551
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(E)-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126322325

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide?
The IUPAC name of N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide (CID 4523906) is N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide.
What is the SMILES notation for N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide?
The canonical SMILES for N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide is O=C(NN=Cc1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide?
The InChIKey is VTGRCDPJIRJVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O4/c38-35(37-36-23-27-13-5-1-6-14-27)31-21-32(39-24-28-15-7-2-8-16-28)34(41-26-30-19-11-4-12-20-30)33(22-31)40-25-29-17-9-3-10-18-29/h1-23H,24-26H2,(H,37,38).
What are the key properties of N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide?
N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide has a molecular weight of 542.64 g/mol, XLogP of 7.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide is sourced from PubChem (CID 4523906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).