N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide

C25H24N2O3 — CID 60531952

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C25H24N2O3/c1-19(30-23-14-12-21(13-15-23)20-8-3-2-4-9-20)25(28)27-22-10-7-11-24(18-22)29-17-6-5-16-26/h2-4,7-15,18-19H,5-6,17H2,1H3,(H,27,28)
InChIKeyDOWCQPZVEPVURO-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.44
Rot. Bonds9

About N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide

N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 60531952) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
PubChem CID60531952
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C25H24N2O3/c1-19(30-23-14-12-21(13-15-23)20-8-3-2-4-9-20)25(28)27-22-10-7-11-24(18-22)29-17-6-5-16-26/h2-4,7-15,18-19H,5-6,17H2,1H3,(H,27,28)
InChIKeyDOWCQPZVEPVURO-UHFFFAOYSA-N
XLogP5.44
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide 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-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
N-[3-(3-cyanopropoxy)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55878338
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide (CID 60531952) is N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCCC#N)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is DOWCQPZVEPVURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-19(30-23-14-12-21(13-15-23)20-8-3-2-4-9-20)25(28)27-22-10-7-11-24(18-22)29-17-6-5-16-26/h2-4,7-15,18-19H,5-6,17H2,1H3,(H,27,28).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 400.48 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 60531952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).