N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide

C25H32N4O4 — CID 136878224

IUPACN,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
SMILESC/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(/C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C25H32N4O4/c1-18(20-10-14-22(30)15-11-20)26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-19(2)21-12-16-23(31)17-13-21/h10-17,30-31H,3-9H2,1-2H3,(H,28,32)(H,29,33)/b26-18-,27-19-
InChIKeyKPKQCNSPJNFNHS-WCOOBMQKSA-N
MW452.56 g/mol
LogP4.21
Rot. Bonds12

About N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide

N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide (PubChem CID 136878224) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
PubChem CID136878224
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
SMILESC/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(/C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C25H32N4O4/c1-18(20-10-14-22(30)15-11-20)26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-19(2)21-12-16-23(31)17-13-21/h10-17,30-31H,3-9H2,1-2H3,(H,28,32)(H,29,33)/b26-18-,27-19-
InChIKeyKPKQCNSPJNFNHS-WCOOBMQKSA-N
XLogP4.21
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide?
The IUPAC name of N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide (CID 136878224) is N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide.
What is the SMILES notation for N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide?
The canonical SMILES for N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide is C/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(/C)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide?
The InChIKey is KPKQCNSPJNFNHS-WCOOBMQKSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-18(20-10-14-22(30)15-11-20)26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-19(2)21-12-16-23(31)17-13-21/h10-17,30-31H,3-9H2,1-2H3,(H,28,32)(H,29,33)/b26-18-,27-19-.
What are the key properties of N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide?
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide has a molecular weight of 452.56 g/mol, XLogP of 4.21, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide is sourced from PubChem (CID 136878224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).