N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide

C21H27NO3 — CID 132652265

IUPACN-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NC(C)COc2ccccc2C)c1
InChIInChI=1S/C21H27NO3/c1-14-10-16(3)18(5)20(11-14)25-13-21(23)22-17(4)12-24-19-9-7-6-8-15(19)2/h6-11,17H,12-13H2,1-5H3,(H,22,23)
InChIKeyHDAKTALLTGKPHZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.88
Rot. Bonds7

About N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide

N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 132652265) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID132652265
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NC(C)COc2ccccc2C)c1
InChIInChI=1S/C21H27NO3/c1-14-10-16(3)18(5)20(11-14)25-13-21(23)22-17(4)12-24-19-9-7-6-8-15(19)2/h6-11,17H,12-13H2,1-5H3,(H,22,23)
InChIKeyHDAKTALLTGKPHZ-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide 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

2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132653925
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
(2S)-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanoate
CID 9156910
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 99643588
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 132652265) is N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)NC(C)COc2ccccc2C)c1.
What is the InChIKey of N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is HDAKTALLTGKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14-10-16(3)18(5)20(11-14)25-13-21(23)22-17(4)12-24-19-9-7-6-8-15(19)2/h6-11,17H,12-13H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 341.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 132652265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).