N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide

C26H34N4O6 — CID 3615111

IUPACN,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
SMILESO=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C26H34N4O6/c31-21-13-11-19(23(33)15-21)17-27-29-25(35)9-7-5-3-1-2-4-6-8-10-26(36)30-28-18-20-12-14-22(32)16-24(20)34/h11-18,31-34H,1-10H2,(H,29,35)(H,30,36)
InChIKeySCJMZAXIBWAHPC-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.01
Rot. Bonds15

About N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide

N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide (PubChem CID 3615111) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide.

Molecular Properties

Compound NameN,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
PubChem CID3615111
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC NameN,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
SMILESO=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C26H34N4O6/c31-21-13-11-19(23(33)15-21)17-27-29-25(35)9-7-5-3-1-2-4-6-8-10-26(36)30-28-18-20-12-14-22(32)16-24(20)34/h11-18,31-34H,1-10H2,(H,29,35)(H,30,36)
InChIKeySCJMZAXIBWAHPC-UHFFFAOYSA-N
XLogP4.01
TPSA163.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 54.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide?
The IUPAC name of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide (CID 3615111) is N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide.
What is the SMILES notation for N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide?
The canonical SMILES for N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide is O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O.
What is the InChIKey of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide?
The InChIKey is SCJMZAXIBWAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c31-21-13-11-19(23(33)15-21)17-27-29-25(35)9-7-5-3-1-2-4-6-8-10-26(36)30-28-18-20-12-14-22(32)16-24(20)34/h11-18,31-34H,1-10H2,(H,29,35)(H,30,36).
What are the key properties of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide?
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide has a molecular weight of 498.58 g/mol, XLogP of 4.01, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide is sourced from PubChem (CID 3615111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).