N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide

C28H38N4O6 — CID 135458926

IUPACN,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
SMILESCCOc1cc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C28H38N4O6/c1-3-37-25-17-21(13-15-23(25)33)19-29-31-27(35)11-9-7-5-6-8-10-12-28(36)32-30-20-22-14-16-24(34)26(18-22)38-4-2/h13-20,33-34H,3-12H2,1-2H3,(H,31,35)(H,32,36)/b29-19+,30-20+
InChIKeyTWNFOAQUERPHBR-CZYCKNNWSA-N
MW526.63 g/mol
LogP4.62
Rot. Bonds17

About N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide

N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide (PubChem CID 135458926) has the molecular formula C28H38N4O6 and a molecular weight of 526.63 g/mol. Its IUPAC name is N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
PubChem CID135458926
Molecular FormulaC28H38N4O6
Molecular Weight526.63 g/mol
Exact Mass526.28
IUPAC NameN,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
SMILESCCOc1cc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C28H38N4O6/c1-3-37-25-17-21(13-15-23(25)33)19-29-31-27(35)11-9-7-5-6-8-10-12-28(36)32-30-20-22-14-16-24(34)26(18-22)38-4-2/h13-20,33-34H,3-12H2,1-2H3,(H,31,35)(H,32,36)/b29-19+,30-20+
InChIKeyTWNFOAQUERPHBR-CZYCKNNWSA-N
XLogP4.62
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136664168
2-(4-tert-butylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137057622
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3883682
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
2-(2,6-dimethylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135419496
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide?
The IUPAC name of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide (CID 135458926) is N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide.
What is the SMILES notation for N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide?
The canonical SMILES for N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide is CCOc1cc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O.
What is the InChIKey of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide?
The InChIKey is TWNFOAQUERPHBR-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H38N4O6/c1-3-37-25-17-21(13-15-23(25)33)19-29-31-27(35)11-9-7-5-6-8-10-12-28(36)32-30-20-22-14-16-24(34)26(18-22)38-4-2/h13-20,33-34H,3-12H2,1-2H3,(H,31,35)(H,32,36)/b29-19+,30-20+.
What are the key properties of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide?
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide has a molecular weight of 526.63 g/mol, XLogP of 4.62, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide is sourced from PubChem (CID 135458926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).