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

C29H27NO4 — CID 17123582

IUPACN-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C29H27NO4/c1-22(34-27-17-15-24(16-18-27)23-9-4-2-5-10-23)29(31)30-25-11-8-14-28(21-25)33-20-19-32-26-12-6-3-7-13-26/h2-18,21-22H,19-20H2,1H3,(H,30,31)
InChIKeyOJMXFGZDGWKXKJ-UHFFFAOYSA-N
MW453.54 g/mol
LogP6.22
Rot. Bonds10

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

N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 17123582) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
PubChem CID17123582
Molecular FormulaC29H27NO4
Molecular Weight453.54 g/mol
Exact Mass453.19
IUPAC NameN-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C29H27NO4/c1-22(34-27-17-15-24(16-18-27)23-9-4-2-5-10-23)29(31)30-25-11-8-14-28(21-25)33-20-19-32-26-12-6-3-7-13-26/h2-18,21-22H,19-20H2,1H3,(H,30,31)
InChIKeyOJMXFGZDGWKXKJ-UHFFFAOYSA-N
XLogP6.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-phenoxyethoxy)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-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 60531952
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
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
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
N-[3-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 19628748

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide (CID 17123582) is N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is OJMXFGZDGWKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4/c1-22(34-27-17-15-24(16-18-27)23-9-4-2-5-10-23)29(31)30-25-11-8-14-28(21-25)33-20-19-32-26-12-6-3-7-13-26/h2-18,21-22H,19-20H2,1H3,(H,30,31).
What are the key properties of N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 453.54 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 17123582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).