N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide

C25H28N4O4 — CID 3634510

IUPACN,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
SMILESC=CCOc1ccccc1C=NNC(=O)CCCC(=O)NN=Cc1ccccc1OCC=C
InChIInChI=1S/C25H28N4O4/c1-3-16-32-22-12-7-5-10-20(22)18-26-28-24(30)14-9-15-25(31)29-27-19-21-11-6-8-13-23(21)33-17-4-2/h3-8,10-13,18-19H,1-2,9,14-17H2,(H,28,30)(H,29,31)
InChIKeyBUJLYLRUHHEJDE-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.59
Rot. Bonds14

About N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide

N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide (PubChem CID 3634510) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
PubChem CID3634510
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
SMILESC=CCOc1ccccc1C=NNC(=O)CCCC(=O)NN=Cc1ccccc1OCC=C
InChIInChI=1S/C25H28N4O4/c1-3-16-32-22-12-7-5-10-20(22)18-26-28-24(30)14-9-15-25(31)29-27-19-21-11-6-8-13-23(21)33-17-4-2/h3-8,10-13,18-19H,1-2,9,14-17H2,(H,28,30)(H,29,31)
InChIKeyBUJLYLRUHHEJDE-UHFFFAOYSA-N
XLogP3.59
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]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,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5081383
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide (CID 3634510) is N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide is C=CCOc1ccccc1C=NNC(=O)CCCC(=O)NN=Cc1ccccc1OCC=C.
What is the InChIKey of N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide?
The InChIKey is BUJLYLRUHHEJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-16-32-22-12-7-5-10-20(22)18-26-28-24(30)14-9-15-25(31)29-27-19-21-11-6-8-13-23(21)33-17-4-2/h3-8,10-13,18-19H,1-2,9,14-17H2,(H,28,30)(H,29,31).
What are the key properties of N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide?
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide has a molecular weight of 448.52 g/mol, XLogP of 3.59, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 3634510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).