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

C24H30N4O4 — CID 135491094

IUPACN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide
SMILESO=C(CCCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C24H30N4O4/c29-21-13-9-19(10-14-21)17-25-27-23(31)7-5-3-1-2-4-6-8-24(32)28-26-18-20-11-15-22(30)16-12-20/h9-18,29-30H,1-8H2,(H,27,31)(H,28,32)/b25-17+,26-18+
InChIKeyQBHDKQXPLADXIB-RPCRKUJJSA-N
MW438.53 g/mol
LogP3.82
Rot. Bonds13

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

N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide (PubChem CID 135491094) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide
PubChem CID135491094
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide
SMILESO=C(CCCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C24H30N4O4/c29-21-13-9-19(10-14-21)17-25-27-23(31)7-5-3-1-2-4-6-8-24(32)28-26-18-20-11-15-22(30)16-12-20/h9-18,29-30H,1-8H2,(H,27,31)(H,28,32)/b25-17+,26-18+
InChIKeyQBHDKQXPLADXIB-RPCRKUJJSA-N
XLogP3.82
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide?
The IUPAC name of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide (CID 135491094) is N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide.
What is the SMILES notation for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide?
The canonical SMILES for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide is O=C(CCCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide?
The InChIKey is QBHDKQXPLADXIB-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-21-13-9-19(10-14-21)17-25-27-23(31)7-5-3-1-2-4-6-8-24(32)28-26-18-20-11-15-22(30)16-12-20/h9-18,29-30H,1-8H2,(H,27,31)(H,28,32)/b25-17+,26-18+.
What are the key properties of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide?
N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide has a molecular weight of 438.53 g/mol, XLogP of 3.82, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]decanediamide is sourced from PubChem (CID 135491094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).