2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide

C18H21NO2 — CID 94625056

IUPAC2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-9-10-14(2)17(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-/m1/s1
InChIKeyJLYPLQTVXGEYFR-OAHLLOKOSA-N
MW283.37 g/mol
LogP3.50
Rot. Bonds5

About 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide

2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide (PubChem CID 94625056) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
PubChem CID94625056
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
SMILESCc1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-9-10-14(2)17(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-/m1/s1
InChIKeyJLYPLQTVXGEYFR-OAHLLOKOSA-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

2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
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
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058712
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
2-methyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969062

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide (CID 94625056) is 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide is Cc1ccc(C)c(C(=O)N[C@H](C)COc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The InChIKey is JLYPLQTVXGEYFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-9-10-14(2)17(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-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
2,5-dimethyl-N-[(2R)-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 2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide is sourced from PubChem (CID 94625056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).