2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide

C19H23NO2 — CID 100614435

IUPAC2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@@H](C)COc2ccccc2C)c1
InChIInChI=1S/C19H23NO2/c1-13-9-10-14(2)17(11-13)19(21)20-16(4)12-22-18-8-6-5-7-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyCPQZOPYWMXDRKO-INIZCTEOSA-N
MW297.40 g/mol
LogP3.81
Rot. Bonds5

About 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide

2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide (PubChem CID 100614435) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
PubChem CID100614435
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@@H](C)COc2ccccc2C)c1
InChIInChI=1S/C19H23NO2/c1-13-9-10-14(2)17(11-13)19(21)20-16(4)12-22-18-8-6-5-7-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyCPQZOPYWMXDRKO-INIZCTEOSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]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-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
CID 94623512
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
CID 95164068
2-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 132665015
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide (CID 100614435) is 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide is Cc1ccc(C)c(C(=O)N[C@@H](C)COc2ccccc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is CPQZOPYWMXDRKO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-9-10-14(2)17(11-13)19(21)20-16(4)12-22-18-8-6-5-7-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide?
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 100614435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).