N,N'-bis(4-ethoxyphenyl)nonanediamide

C25H34N2O4 — CID 4507995

IUPACN,N'-bis(4-ethoxyphenyl)nonanediamide
SMILESCCOc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H34N2O4/c1-3-30-22-16-12-20(13-17-22)26-24(28)10-8-6-5-7-9-11-25(29)27-21-14-18-23(19-15-21)31-4-2/h12-19H,3-11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWSNVNPGISGURML-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.79
Rot. Bonds14

About N,N'-bis(4-ethoxyphenyl)nonanediamide

N,N'-bis(4-ethoxyphenyl)nonanediamide (PubChem CID 4507995) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N,N'-bis(4-ethoxyphenyl)nonanediamide.

Molecular Properties

Compound NameN,N'-bis(4-ethoxyphenyl)nonanediamide
PubChem CID4507995
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN,N'-bis(4-ethoxyphenyl)nonanediamide
SMILESCCOc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H34N2O4/c1-3-30-22-16-12-20(13-17-22)26-24(28)10-8-6-5-7-9-11-25(29)27-21-14-18-23(19-15-21)31-4-2/h12-19H,3-11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWSNVNPGISGURML-UHFFFAOYSA-N
XLogP5.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-bis(4-ethoxyphenyl)nonanediamide 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

4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-[(4-ethoxyphenyl)carbamothioyl]tetradecanamide
CID 54791972
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-ethoxyphenyl)nonanediamide?
The IUPAC name of N,N'-bis(4-ethoxyphenyl)nonanediamide (CID 4507995) is N,N'-bis(4-ethoxyphenyl)nonanediamide.
What is the SMILES notation for N,N'-bis(4-ethoxyphenyl)nonanediamide?
The canonical SMILES for N,N'-bis(4-ethoxyphenyl)nonanediamide is CCOc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-ethoxyphenyl)nonanediamide?
The InChIKey is WSNVNPGISGURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-3-30-22-16-12-20(13-17-22)26-24(28)10-8-6-5-7-9-11-25(29)27-21-14-18-23(19-15-21)31-4-2/h12-19H,3-11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis(4-ethoxyphenyl)nonanediamide?
N,N'-bis(4-ethoxyphenyl)nonanediamide has a molecular weight of 426.56 g/mol, XLogP of 5.79, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-ethoxyphenyl)nonanediamide is sourced from PubChem (CID 4507995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).