(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide

C18H21NO2 — CID 871725

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H21NO2/c1-4-17(21-15-8-6-5-7-9-15)18(20)19-16-12-13(2)10-11-14(16)3/h5-12,17H,4H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyAJPFAQQNBFLLMK-QGZVFWFLSA-N
MW283.37 g/mol
LogP4.10
Rot. Bonds5

About (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide

(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide (PubChem CID 871725) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
PubChem CID871725
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H21NO2/c1-4-17(21-15-8-6-5-7-9-15)18(20)19-16-12-13(2)10-11-14(16)3/h5-12,17H,4H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyAJPFAQQNBFLLMK-QGZVFWFLSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
3-methyl-4-(2-phenoxybutanoylamino)benzoic acid
CID 17342639
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 94013147
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide (CID 871725) is (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide?
The InChIKey is AJPFAQQNBFLLMK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-17(21-15-8-6-5-7-9-15)18(20)19-16-12-13(2)10-11-14(16)3/h5-12,17H,4H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide?
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide has a molecular weight of 283.37 g/mol, XLogP of 4.10, 5 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-phenoxybutanamide is sourced from PubChem (CID 871725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).