2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide

C13H20N2O2 — CID 103828117

IUPAC2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(C)(C)C)cc1O
InChIInChI=1S/C13H20N2O2/c1-9-5-6-10(7-11(9)16)15-12(17)8-14-13(2,3)4/h5-7,14,16H,8H2,1-4H3,(H,15,17)
InChIKeyMCBLUHAUKIRFHA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.03
Rot. Bonds3

About 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide

2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide (PubChem CID 103828117) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
PubChem CID103828117
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(C)(C)C)cc1O
InChIInChI=1S/C13H20N2O2/c1-9-5-6-10(7-11(9)16)15-12(17)8-14-13(2,3)4/h5-7,14,16H,8H2,1-4H3,(H,15,17)
InChIKeyMCBLUHAUKIRFHA-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-4-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107699577
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79257620
N-(3-hydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740885
N-(3-hydroxy-4-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64794194
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
2-(3-hydroxy-4-methylanilino)-N-(2-hydroxyphenyl)acetamide
CID 150167454
2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
CID 79256372

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide (CID 103828117) is 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNC(C)(C)C)cc1O.
What is the InChIKey of 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide?
The InChIKey is MCBLUHAUKIRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-10(7-11(9)16)15-12(17)8-14-13(2,3)4/h5-7,14,16H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide?
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 103828117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).