(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide

C20H25NO2 — CID 99133056

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(O[C@H](CC)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-5-16-9-11-17(12-10-16)23-19(6-2)20(22)21-18-13-14(3)7-8-15(18)4/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyQSACGCZSMIPULO-LJQANCHMSA-N
MW311.43 g/mol
LogP4.66
Rot. Bonds6

About (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide

(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide (PubChem CID 99133056) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
PubChem CID99133056
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(O[C@H](CC)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-5-16-9-11-17(12-10-16)23-19(6-2)20(22)21-18-13-14(3)7-8-15(18)4/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyQSACGCZSMIPULO-LJQANCHMSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 132651059
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 94013147
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
methyl 3-[2-(4-tert-butylphenoxy)butanoylamino]-4-methylbenzoate
CID 132657766

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide (CID 99133056) is (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide is CCc1ccc(O[C@H](CC)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide?
The InChIKey is QSACGCZSMIPULO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-16-9-11-17(12-10-16)23-19(6-2)20(22)21-18-13-14(3)7-8-15(18)4/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide?
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 99133056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).