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

C26H32N6O6 — CID 4631654

IUPACN,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
SMILESCC(=NNC(=O)CCCCCCCCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H32N6O6/c1-19(21-11-15-23(16-12-21)31(35)36)27-29-25(33)9-7-5-3-4-6-8-10-26(34)30-28-20(2)22-13-17-24(18-14-22)32(37)38/h11-18H,3-10H2,1-2H3,(H,29,33)(H,30,34)
InChIKeySZABNHPDUIIVRE-UHFFFAOYSA-N
MW524.58 g/mol
LogP5.00
Rot. Bonds15

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

N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide (PubChem CID 4631654) has the molecular formula C26H32N6O6 and a molecular weight of 524.58 g/mol. Its IUPAC name is N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
PubChem CID4631654
Molecular FormulaC26H32N6O6
Molecular Weight524.58 g/mol
Exact Mass524.24
IUPAC NameN,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
SMILESCC(=NNC(=O)CCCCCCCCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H32N6O6/c1-19(21-11-15-23(16-12-21)31(35)36)27-29-25(33)9-7-5-3-4-6-8-10-26(34)30-28-20(2)22-13-17-24(18-14-22)32(37)38/h11-18H,3-10H2,1-2H3,(H,29,33)(H,30,34)
InChIKeySZABNHPDUIIVRE-UHFFFAOYSA-N
XLogP5.00
TPSA169.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.00
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]nonanediamide
CID 4631339
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]decanediamide?
The IUPAC name of N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide (CID 4631654) is N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide.
What is the SMILES notation for N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide?
The canonical SMILES for N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide is CC(=NNC(=O)CCCCCCCCC(=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]decanediamide?
The InChIKey is SZABNHPDUIIVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O6/c1-19(21-11-15-23(16-12-21)31(35)36)27-29-25(33)9-7-5-3-4-6-8-10-26(34)30-28-20(2)22-13-17-24(18-14-22)32(37)38/h11-18H,3-10H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide?
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide has a molecular weight of 524.58 g/mol, XLogP of 5.00, 15 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]decanediamide is sourced from PubChem (CID 4631654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).