N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide

C26H28N2O3 — CID 43887467

IUPACN-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-18(2)23-11-7-8-12-24(23)31-17-25(29)28-22-15-13-21(14-16-22)26(30)27-19(3)20-9-5-4-6-10-20/h4-16,18-19H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPXLXUHJGLDMZHC-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.32
Rot. Bonds8

About N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide

N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 43887467) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID43887467
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-18(2)23-11-7-8-12-24(23)31-17-25(29)28-22-15-13-21(14-16-22)26(30)27-19(3)20-9-5-4-6-10-20/h4-16,18-19H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPXLXUHJGLDMZHC-UHFFFAOYSA-N
XLogP5.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]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

4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543
4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 8752279
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 43887467) is N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide is CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is PXLXUHJGLDMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)23-11-7-8-12-24(23)31-17-25(29)28-22-15-13-21(14-16-22)26(30)27-19(3)20-9-5-4-6-10-20/h4-16,18-19H,17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 43887467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).