(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide

C20H25NO2 — CID 94019474

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-5-19(23-18-10-9-15(3)16(4)12-18)20(22)21-13-17-8-6-7-14(2)11-17/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyDKEBQASCDCFKRC-LJQANCHMSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds6

About (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide (PubChem CID 94019474) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
PubChem CID94019474
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-5-19(23-18-10-9-15(3)16(4)12-18)20(22)21-13-17-8-6-7-14(2)11-17/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyDKEBQASCDCFKRC-LJQANCHMSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 53284316
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide (CID 94019474) is (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C)c1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The InChIKey is DKEBQASCDCFKRC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-19(23-18-10-9-15(3)16(4)12-18)20(22)21-13-17-8-6-7-14(2)11-17/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 94019474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).