N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide

C33H36N4O2 — CID 92652613

IUPACN,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
SMILESC/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C33H36N4O2/c1-24(28-20-18-26-12-8-10-14-30(26)22-28)34-36-32(38)16-6-4-3-5-7-17-33(39)37-35-25(2)29-21-19-27-13-9-11-15-31(27)23-29/h8-15,18-23H,3-7,16-17H2,1-2H3,(H,36,38)(H,37,39)/b34-24-,35-25-
InChIKeySKJFQRBDMKLNMQ-XMQRHNBDSA-N
MW520.68 g/mol
LogP7.10
Rot. Bonds12

About N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide

N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide (PubChem CID 92652613) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
PubChem CID92652613
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC NameN,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
SMILESC/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C33H36N4O2/c1-24(28-20-18-26-12-8-10-14-30(26)22-28)34-36-32(38)16-6-4-3-5-7-17-33(39)37-35-25(2)29-21-19-27-13-9-11-15-31(27)23-29/h8-15,18-23H,3-7,16-17H2,1-2H3,(H,36,38)(H,37,39)/b34-24-,35-25-
InChIKeySKJFQRBDMKLNMQ-XMQRHNBDSA-N
XLogP7.10
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 57.10
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(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
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,N'-bis[1-(1,3-benzodioxol-5-yl)ethylideneamino]heptanediamide
CID 4198413
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide?
The IUPAC name of N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide (CID 92652613) is N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide.
What is the SMILES notation for N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide?
The canonical SMILES for N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide is C/C(=N/NC(=O)CCCCCCCC(=O)N/N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide?
The InChIKey is SKJFQRBDMKLNMQ-XMQRHNBDSA-N. The full InChI is InChI=1S/C33H36N4O2/c1-24(28-20-18-26-12-8-10-14-30(26)22-28)34-36-32(38)16-6-4-3-5-7-17-33(39)37-35-25(2)29-21-19-27-13-9-11-15-31(27)23-29/h8-15,18-23H,3-7,16-17H2,1-2H3,(H,36,38)(H,37,39)/b34-24-,35-25-.
What are the key properties of N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide?
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide has a molecular weight of 520.68 g/mol, XLogP of 7.10, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide is sourced from PubChem (CID 92652613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).