4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide

C25H26N2O4 — CID 17230295

IUPAC4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-3-30-17-18-31-23-15-11-19(12-16-23)24(28)26-21-13-9-20(10-14-21)25(29)27(2)22-7-5-4-6-8-22/h4-16H,3,17-18H2,1-2H3,(H,26,28)
InChIKeyQGLNLVJMHNGXJM-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.63
Rot. Bonds9

About 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide

4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 17230295) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID17230295
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-3-30-17-18-31-23-15-11-19(12-16-23)24(28)26-21-13-9-20(10-14-21)25(29)27(2)22-7-5-4-6-8-22/h4-16H,3,17-18H2,1-2H3,(H,26,28)
InChIKeyQGLNLVJMHNGXJM-UHFFFAOYSA-N
XLogP4.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide (CID 17230295) is 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide is CCOCCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is QGLNLVJMHNGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-30-17-18-31-23-15-11-19(12-16-23)24(28)26-21-13-9-20(10-14-21)25(29)27(2)22-7-5-4-6-8-22/h4-16H,3,17-18H2,1-2H3,(H,26,28).
What are the key properties of 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide?
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 418.49 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17230295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).