N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide

C24H30N4O4 — CID 135721513

IUPACN,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
SMILESCC/C(=N\NC(=O)CCCCC(=O)N/N=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H30N4O4/c1-3-21(17-9-13-19(29)14-10-17)25-27-23(31)7-5-6-8-24(32)28-26-22(4-2)18-11-15-20(30)16-12-18/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32)/b25-21+,26-22+
InChIKeyYGPKZAZJJNUDJX-CDTUYSNOSA-N
MW438.53 g/mol
LogP3.82
Rot. Bonds11

About N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide

N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide (PubChem CID 135721513) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
PubChem CID135721513
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
SMILESCC/C(=N\NC(=O)CCCCC(=O)N/N=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H30N4O4/c1-3-21(17-9-13-19(29)14-10-17)25-27-23(31)7-5-6-8-24(32)28-26-22(4-2)18-11-15-20(30)16-12-18/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32)/b25-21+,26-22+
InChIKeyYGPKZAZJJNUDJX-CDTUYSNOSA-N
XLogP3.82
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
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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Related Compounds

N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456
N-(2,5-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560229
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide (CID 135721513) is N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide is CC/C(=N\NC(=O)CCCCC(=O)N/N=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide?
The InChIKey is YGPKZAZJJNUDJX-CDTUYSNOSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-21(17-9-13-19(29)14-10-17)25-27-23(31)7-5-6-8-24(32)28-26-22(4-2)18-11-15-20(30)16-12-18/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32)/b25-21+,26-22+.
What are the key properties of N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide?
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide has a molecular weight of 438.53 g/mol, XLogP of 3.82, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide is sourced from PubChem (CID 135721513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).