N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide

C32H34N4O2 — CID 4172674

IUPACN,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H34N4O2/c1-23(27-19-17-25-11-7-9-13-29(25)21-27)33-35-31(37)15-5-3-4-6-16-32(38)36-34-24(2)28-20-18-26-12-8-10-14-30(26)22-28/h7-14,17-22H,3-6,15-16H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyGDBRBZPVLKWLFM-UHFFFAOYSA-N
MW506.65 g/mol
LogP6.71
Rot. Bonds11

About N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide

N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide (PubChem CID 4172674) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide.

Molecular Properties

Compound NameN,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
PubChem CID4172674
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC NameN,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H34N4O2/c1-23(27-19-17-25-11-7-9-13-29(25)21-27)33-35-31(37)15-5-3-4-6-16-32(38)36-34-24(2)28-20-18-26-12-8-10-14-30(26)22-28/h7-14,17-22H,3-6,15-16H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyGDBRBZPVLKWLFM-UHFFFAOYSA-N
XLogP6.71
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 56.71
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,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N,N'-bis[1-(1,3-benzodioxol-5-yl)ethylideneamino]heptanediamide
CID 4198413
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide?
The IUPAC name of N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide (CID 4172674) is N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide.
What is the SMILES notation for N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide?
The canonical SMILES for N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide is CC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide?
The InChIKey is GDBRBZPVLKWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-23(27-19-17-25-11-7-9-13-29(25)21-27)33-35-31(37)15-5-3-4-6-16-32(38)36-34-24(2)28-20-18-26-12-8-10-14-30(26)22-28/h7-14,17-22H,3-6,15-16H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide?
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide has a molecular weight of 506.65 g/mol, XLogP of 6.71, 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-naphthalen-2-ylethylideneamino)octanediamide is sourced from PubChem (CID 4172674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).