N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide

C32H30N4O4 — CID 98079441

IUPACN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C32H30N4O4/c37-31(35-33-21-27-13-7-15-29(19-27)39-23-25-9-3-1-4-10-25)17-18-32(38)36-34-22-28-14-8-16-30(20-28)40-24-26-11-5-2-6-12-26/h1-16,19-22H,17-18,23-24H2,(H,35,37)(H,36,38)/b33-21-,34-22+
InChIKeyQGYKKJWSFDOLMH-NRYMNODQSA-N
MW534.62 g/mol
LogP5.23
Rot. Bonds13

About N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide

N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide (PubChem CID 98079441) has the molecular formula C32H30N4O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
PubChem CID98079441
Molecular FormulaC32H30N4O4
Molecular Weight534.62 g/mol
Exact Mass534.23
IUPAC NameN-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C32H30N4O4/c37-31(35-33-21-27-13-7-15-29(19-27)39-23-25-9-3-1-4-10-25)17-18-32(38)36-34-22-28-14-8-16-30(20-28)40-24-26-11-5-2-6-12-26/h1-16,19-22H,17-18,23-24H2,(H,35,37)(H,36,38)/b33-21-,34-22+
InChIKeyQGYKKJWSFDOLMH-NRYMNODQSA-N
XLogP5.23
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6052254
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3537489
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide (CID 98079441) is N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)N/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide?
The InChIKey is QGYKKJWSFDOLMH-NRYMNODQSA-N. The full InChI is InChI=1S/C32H30N4O4/c37-31(35-33-21-27-13-7-15-29(19-27)39-23-25-9-3-1-4-10-25)17-18-32(38)36-34-22-28-14-8-16-30(20-28)40-24-26-11-5-2-6-12-26/h1-16,19-22H,17-18,23-24H2,(H,35,37)(H,36,38)/b33-21-,34-22+.
What are the key properties of N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide?
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide has a molecular weight of 534.62 g/mol, XLogP of 5.23, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 98079441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).