N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide

C23H22N2O3 — CID 28639871

IUPACN-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17-7-13-21(14-8-17)28-16-22(26)25-20-11-9-19(10-12-20)23(27)24-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyRGFILCDXJUSGHI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.94
Rot. Bonds7

About N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide

N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide (PubChem CID 28639871) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
PubChem CID28639871
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17-7-13-21(14-8-17)28-16-22(26)25-20-11-9-19(10-12-20)23(27)24-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyRGFILCDXJUSGHI-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide (CID 28639871) is N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is RGFILCDXJUSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17-7-13-21(14-8-17)28-16-22(26)25-20-11-9-19(10-12-20)23(27)24-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide?
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 28639871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).