N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide

C13H19NO3 — CID 65109847

IUPACN-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,16)9-14-12(15)8-10-4-6-11(17-3)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,14,15)
InChIKeyXCYBTRPHQZAIQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide

N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 65109847) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
PubChem CID65109847
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,16)9-14-12(15)8-10-4-6-11(17-3)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,14,15)
InChIKeyXCYBTRPHQZAIQL-UHFFFAOYSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
CID 114149390
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 9224356

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide (CID 65109847) is N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is XCYBTRPHQZAIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,16)9-14-12(15)8-10-4-6-11(17-3)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide?
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 65109847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).