N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide

C24H30N4O4 — CID 3340797

IUPACN,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
SMILESCCC(=NNC(=O)CCCCC(=O)NN=C(CC)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C24H30N4O4/c1-3-19(17-11-5-7-13-21(17)29)25-27-23(31)15-9-10-16-24(32)28-26-20(4-2)18-12-6-8-14-22(18)30/h5-8,11-14,29-30H,3-4,9-10,15-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyHVZFNMQOVKWPAU-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.82
Rot. Bonds11

About N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide

N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide (PubChem CID 3340797) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
PubChem CID3340797
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
SMILESCCC(=NNC(=O)CCCCC(=O)NN=C(CC)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C24H30N4O4/c1-3-19(17-11-5-7-13-21(17)29)25-27-23(31)15-9-10-16-24(32)28-26-20(4-2)18-12-6-8-14-22(18)30/h5-8,11-14,29-30H,3-4,9-10,15-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyHVZFNMQOVKWPAU-UHFFFAOYSA-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_A(479)', '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)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide
CID 135533779
N-[1-(2-hydroxyphenyl)propylideneamino]pentanamide
CID 4060923
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
CID 4163359
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide (CID 3340797) is N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide is CCC(=NNC(=O)CCCCC(=O)NN=C(CC)c1ccccc1O)c1ccccc1O.
What is the InChIKey of N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide?
The InChIKey is HVZFNMQOVKWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-19(17-11-5-7-13-21(17)29)25-27-23(31)15-9-10-16-24(32)28-26-20(4-2)18-12-6-8-14-22(18)30/h5-8,11-14,29-30H,3-4,9-10,15-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide?
N,N'-bis[1-(2-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[1-(2-hydroxyphenyl)propylideneamino]hexanediamide is sourced from PubChem (CID 3340797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).