N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide

C28H22N4O3 — CID 44621271

IUPACN-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N4O3/c33-27(31-29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)28(34)32-30-20-22-9-5-2-6-10-22/h1-20H,(H,31,33)(H,32,34)/b29-19+,30-20+
InChIKeyVOFFWHQRJGJWRX-CZYCKNNWSA-N
MW462.51 g/mol
LogP5.01
Rot. Bonds8

About N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide

N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide (PubChem CID 44621271) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
PubChem CID44621271
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC NameN-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N4O3/c33-27(31-29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)28(34)32-30-20-22-9-5-2-6-10-22/h1-20H,(H,31,33)(H,32,34)/b29-19+,30-20+
InChIKeyVOFFWHQRJGJWRX-CZYCKNNWSA-N
XLogP5.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
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

4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
CID 4301325
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide (CID 44621271) is N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide is O=C(N/N=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide?
The InChIKey is VOFFWHQRJGJWRX-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H22N4O3/c33-27(31-29-19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)28(34)32-30-20-22-9-5-2-6-10-22/h1-20H,(H,31,33)(H,32,34)/b29-19+,30-20+.
What are the key properties of N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide?
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide has a molecular weight of 462.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 44621271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).