4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide

C28H25NO4 — CID 17086099

IUPAC4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C28H25NO4/c30-28(29-24-10-7-13-27(20-24)33-21-22-8-3-1-4-9-22)23-14-16-26(17-15-23)32-19-18-31-25-11-5-2-6-12-25/h1-17,20H,18-19,21H2,(H,29,30)
InChIKeyLSBLZZUWOLCNGL-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.98
Rot. Bonds10

About 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide

4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide (PubChem CID 17086099) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
PubChem CID17086099
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C28H25NO4/c30-28(29-24-10-7-13-27(20-24)33-21-22-8-3-1-4-9-22)23-14-16-26(17-15-23)32-19-18-31-25-11-5-2-6-12-25/h1-17,20H,18-19,21H2,(H,29,30)
InChIKeyLSBLZZUWOLCNGL-UHFFFAOYSA-N
XLogP5.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide 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-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
CID 54788417
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide (CID 17086099) is 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide is O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is LSBLZZUWOLCNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c30-28(29-24-10-7-13-27(20-24)33-21-22-8-3-1-4-9-22)23-14-16-26(17-15-23)32-19-18-31-25-11-5-2-6-12-25/h1-17,20H,18-19,21H2,(H,29,30).
What are the key properties of 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide?
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 439.51 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 17086099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).