N,N'-bis(1-phenylethylideneamino)octanediamide

C24H30N4O2 — CID 4517497

IUPACN,N'-bis(1-phenylethylideneamino)octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-19(21-13-7-5-8-14-21)25-27-23(29)17-11-3-4-12-18-24(30)28-26-20(2)22-15-9-6-10-16-22/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFIDPKIJZOPWOJA-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.41
Rot. Bonds11

About N,N'-bis(1-phenylethylideneamino)octanediamide

N,N'-bis(1-phenylethylideneamino)octanediamide (PubChem CID 4517497) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N,N'-bis(1-phenylethylideneamino)octanediamide.

Molecular Properties

Compound NameN,N'-bis(1-phenylethylideneamino)octanediamide
PubChem CID4517497
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN,N'-bis(1-phenylethylideneamino)octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-19(21-13-7-5-8-14-21)25-27-23(29)17-11-3-4-12-18-24(30)28-26-20(2)22-15-9-6-10-16-22/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFIDPKIJZOPWOJA-UHFFFAOYSA-N
XLogP4.41
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
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[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
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

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylethylideneamino)octanediamide?
The IUPAC name of N,N'-bis(1-phenylethylideneamino)octanediamide (CID 4517497) is N,N'-bis(1-phenylethylideneamino)octanediamide.
What is the SMILES notation for N,N'-bis(1-phenylethylideneamino)octanediamide?
The canonical SMILES for N,N'-bis(1-phenylethylideneamino)octanediamide is CC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(1-phenylethylideneamino)octanediamide?
The InChIKey is FIDPKIJZOPWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19(21-13-7-5-8-14-21)25-27-23(29)17-11-3-4-12-18-24(30)28-26-20(2)22-15-9-6-10-16-22/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(1-phenylethylideneamino)octanediamide?
N,N'-bis(1-phenylethylideneamino)octanediamide has a molecular weight of 406.53 g/mol, XLogP of 4.41, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylethylideneamino)octanediamide is sourced from PubChem (CID 4517497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).