N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide

C21H27NO2 — CID 53266599

IUPACN-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C21H27NO2/c1-14-7-12-19(13-15(14)2)24-16(3)20(23)22-18-10-8-17(9-11-18)21(4,5)6/h7-13,16H,1-6H3,(H,22,23)
InChIKeyMTCSPTIGRNYCAV-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.01
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide

N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 53266599) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID53266599
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C21H27NO2/c1-14-7-12-19(13-15(14)2)24-16(3)20(23)22-18-10-8-17(9-11-18)21(4,5)6/h7-13,16H,1-6H3,(H,22,23)
InChIKeyMTCSPTIGRNYCAV-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 84929872
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide (CID 53266599) is N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is MTCSPTIGRNYCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14-7-12-19(13-15(14)2)24-16(3)20(23)22-18-10-8-17(9-11-18)21(4,5)6/h7-13,16H,1-6H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).