(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide

C20H25NO2 — CID 92646353

IUPAC(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-6-18(23-19-12-13(2)7-8-16(19)5)20(22)21-17-10-14(3)9-15(4)11-17/h7-12,18H,6H2,1-5H3,(H,21,22)/t18-/m1/s1
InChIKeySSRKVJXANLNNRT-GOSISDBHSA-N
MW311.43 g/mol
LogP4.72
Rot. Bonds5

About (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide

(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide (PubChem CID 92646353) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
PubChem CID92646353
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-6-18(23-19-12-13(2)7-8-16(19)5)20(22)21-17-10-14(3)9-15(4)11-17/h7-12,18H,6H2,1-5H3,(H,21,22)/t18-/m1/s1
InChIKeySSRKVJXANLNNRT-GOSISDBHSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 100514335
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide (CID 92646353) is (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
The InChIKey is SSRKVJXANLNNRT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25NO2/c1-6-18(23-19-12-13(2)7-8-16(19)5)20(22)21-17-10-14(3)9-15(4)11-17/h7-12,18H,6H2,1-5H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 92646353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).