N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide

C21H24N4O4 — CID 4204906

IUPACN,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
SMILESCC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C21H24N4O4/c1-14(16-6-3-8-18(26)12-16)22-24-20(28)10-5-11-21(29)25-23-15(2)17-7-4-9-19(27)13-17/h3-4,6-9,12-13,26-27H,5,10-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyFITCVPQVECVWPT-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.65
Rot. Bonds8

About N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide

N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide (PubChem CID 4204906) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
PubChem CID4204906
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
SMILESCC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C21H24N4O4/c1-14(16-6-3-8-18(26)12-16)22-24-20(28)10-5-11-21(29)25-23-15(2)17-7-4-9-19(27)13-17/h3-4,6-9,12-13,26-27H,5,10-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyFITCVPQVECVWPT-UHFFFAOYSA-N
XLogP2.65
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
CID 54777662
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
3-carbazol-9-yl-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]propanamide
CID 6311614
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide (CID 4204906) is N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide is CC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide?
The InChIKey is FITCVPQVECVWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14(16-6-3-8-18(26)12-16)22-24-20(28)10-5-11-21(29)25-23-15(2)17-7-4-9-19(27)13-17/h3-4,6-9,12-13,26-27H,5,10-11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide?
N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide has a molecular weight of 396.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide is sourced from PubChem (CID 4204906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).