N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide

C18H21NO2 — CID 106834917

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(C)c(O)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-4-15(14-8-6-5-7-9-14)18(21)19-16-10-13(3)17(20)11-12(16)2/h5-11,15,20H,4H2,1-3H3,(H,19,21)
InChIKeyZWEDLVDVLQCIDA-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.14
Rot. Bonds4

About N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide

N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide (PubChem CID 106834917) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
PubChem CID106834917
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(C)c(O)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-4-15(14-8-6-5-7-9-14)18(21)19-16-10-13(3)17(20)11-12(16)2/h5-11,15,20H,4H2,1-3H3,(H,19,21)
InChIKeyZWEDLVDVLQCIDA-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
CID 106834835
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
2-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)butanamide
CID 119101398
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
CID 2891424
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide (CID 106834917) is N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1cc(C)c(O)cc1C)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide?
The InChIKey is ZWEDLVDVLQCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-15(14-8-6-5-7-9-14)18(21)19-16-10-13(3)17(20)11-12(16)2/h5-11,15,20H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide is sourced from PubChem (CID 106834917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).