2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide

C18H21NO2 — CID 94625096

IUPAC2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)COc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-9-10-17(14(2)11-13)18(20)19-15(3)12-21-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyZHXFCADOXOPJNQ-HNNXBMFYSA-N
MW283.37 g/mol
LogP3.50
Rot. Bonds5

About 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide

2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide (PubChem CID 94625096) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
PubChem CID94625096
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)COc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-9-10-17(14(2)11-13)18(20)19-15(3)12-21-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyZHXFCADOXOPJNQ-HNNXBMFYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
1-(2,4-dimethylphenyl)-3-(1-phenoxypropan-2-yl)thiourea
CID 133217057
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058712
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide (CID 94625096) is 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide is Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide?
The InChIKey is ZHXFCADOXOPJNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-9-10-17(14(2)11-13)18(20)19-15(3)12-21-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide?
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide is sourced from PubChem (CID 94625096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).