2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide

C21H27NO2 — CID 17314078

IUPAC2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-15-7-11-17(12-8-15)22-19(23)21(5,6)24-18-13-9-16(10-14-18)20(2,3)4/h7-14H,1-6H3,(H,22,23)
InChIKeyNKJOAVDMEUFYKE-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.09
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide

2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide (PubChem CID 17314078) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
PubChem CID17314078
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-15-7-11-17(12-8-15)22-19(23)21(5,6)24-18-13-9-16(10-14-18)20(2,3)4/h7-14H,1-6H3,(H,22,23)
InChIKeyNKJOAVDMEUFYKE-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 17336266
2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
CID 118097919
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17274732
N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide
CID 164531778
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide (CID 17314078) is 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide?
The InChIKey is NKJOAVDMEUFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15-7-11-17(12-8-15)22-19(23)21(5,6)24-18-13-9-16(10-14-18)20(2,3)4/h7-14H,1-6H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide?
2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 17314078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).