N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide

C37H38Br2N4O4 — CID 51062342

IUPACN,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
SMILESO=C(CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C37H38Br2N4O4/c38-32-18-20-34(46-26-28-12-6-4-7-13-28)30(22-32)24-40-42-36(44)16-10-2-1-3-11-17-37(45)43-41-25-31-23-33(39)19-21-35(31)47-27-29-14-8-5-9-15-29/h4-9,12-15,18-25H,1-3,10-11,16-17,26-27H2,(H,42,44)(H,43,45)/b40-24+,41-25+
InChIKeyBOFNHWZSVRKTHA-FQMUTUERSA-N
MW762.54 g/mol
LogP8.70
Rot. Bonds18

About N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide

N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide (PubChem CID 51062342) has the molecular formula C37H38Br2N4O4 and a molecular weight of 762.54 g/mol. Its IUPAC name is N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
PubChem CID51062342
Molecular FormulaC37H38Br2N4O4
Molecular Weight762.54 g/mol
Exact Mass760.13
IUPAC NameN,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
SMILESO=C(CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C37H38Br2N4O4/c38-32-18-20-34(46-26-28-12-6-4-7-13-28)30(22-32)24-40-42-36(44)16-10-2-1-3-11-17-37(45)43-41-25-31-23-33(39)19-21-35(31)47-27-29-14-8-5-9-15-29/h4-9,12-15,18-25H,1-3,10-11,16-17,26-27H2,(H,42,44)(H,43,45)/b40-24+,41-25+
InChIKeyBOFNHWZSVRKTHA-FQMUTUERSA-N
XLogP8.70
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.54
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332805
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide?
The IUPAC name of N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide (CID 51062342) is N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide.
What is the SMILES notation for N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide?
The canonical SMILES for N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide is O=C(CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide?
The InChIKey is BOFNHWZSVRKTHA-FQMUTUERSA-N. The full InChI is InChI=1S/C37H38Br2N4O4/c38-32-18-20-34(46-26-28-12-6-4-7-13-28)30(22-32)24-40-42-36(44)16-10-2-1-3-11-17-37(45)43-41-25-31-23-33(39)19-21-35(31)47-27-29-14-8-5-9-15-29/h4-9,12-15,18-25H,1-3,10-11,16-17,26-27H2,(H,42,44)(H,43,45)/b40-24+,41-25+.
What are the key properties of N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide?
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide has a molecular weight of 762.54 g/mol, XLogP of 8.70, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide is sourced from PubChem (CID 51062342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).