(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide

C19H23NO2 — CID 28631292

IUPAC(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-14-9-8-12-18(15(14)2)22-16(3)19(21)20(4)13-17-10-6-5-7-11-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1
InChIKeyNECLZYOLVYYIQY-MRXNPFEDSA-N
MW297.40 g/mol
LogP3.73
Rot. Bonds5

About (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide

(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide (PubChem CID 28631292) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
PubChem CID28631292
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-14-9-8-12-18(15(14)2)22-16(3)19(21)20(4)13-17-10-6-5-7-11-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1
InChIKeyNECLZYOLVYYIQY-MRXNPFEDSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 43904465
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158764

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide (CID 28631292) is (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide is Cc1cccc(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1C.
What is the InChIKey of (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide?
The InChIKey is NECLZYOLVYYIQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-9-8-12-18(15(14)2)22-16(3)19(21)20(4)13-17-10-6-5-7-11-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide?
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 28631292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).