N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 26076171

IUPACN-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C21H26N2O3/c1-5-16(4)22-21(25)18-8-6-7-9-19(18)23-20(24)13-26-17-11-14(2)10-15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyNPUXSTQVPYLYAZ-INIZCTEOSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 26076171) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID26076171
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C21H26N2O3/c1-5-16(4)22-21(25)18-8-6-7-9-19(18)23-20(24)13-26-17-11-14(2)10-15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyNPUXSTQVPYLYAZ-INIZCTEOSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)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

N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26706316
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
CID 17151289
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide (CID 26076171) is N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is NPUXSTQVPYLYAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-16(4)22-21(25)18-8-6-7-9-19(18)23-20(24)13-26-17-11-14(2)10-15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26076171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).