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

C25H30N6O6 — CID 4631339

IUPACN,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
SMILESCC(=NNC(=O)CCCCCCCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H30N6O6/c1-18(20-10-14-22(15-11-20)30(34)35)26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-19(2)21-12-16-23(17-13-21)31(36)37/h10-17H,3-9H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFRCCDFAUBFVTDY-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.61
Rot. Bonds14

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

N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide (PubChem CID 4631339) has the molecular formula C25H30N6O6 and a molecular weight of 510.55 g/mol. Its IUPAC name is N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
PubChem CID4631339
Molecular FormulaC25H30N6O6
Molecular Weight510.55 g/mol
Exact Mass510.22
IUPAC NameN,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
SMILESCC(=NNC(=O)CCCCCCCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H30N6O6/c1-18(20-10-14-22(15-11-20)30(34)35)26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-19(2)21-12-16-23(17-13-21)31(36)37/h10-17H,3-9H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFRCCDFAUBFVTDY-UHFFFAOYSA-N
XLogP4.61
TPSA169.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436
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-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]propanamide
CID 6252712
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide?
The IUPAC name of N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide (CID 4631339) is N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide.
What is the SMILES notation for N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide?
The canonical SMILES for N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide is CC(=NNC(=O)CCCCCCCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide?
The InChIKey is FRCCDFAUBFVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O6/c1-18(20-10-14-22(15-11-20)30(34)35)26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-19(2)21-12-16-23(17-13-21)31(36)37/h10-17H,3-9H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide?
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide has a molecular weight of 510.55 g/mol, XLogP of 4.61, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide is sourced from PubChem (CID 4631339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).