N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide

C14H21NO3 — CID 115139672

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(C(C)(C)C)cc1N(C)C(=O)CO
InChIInChI=1S/C14H21NO3/c1-14(2,3)10-6-7-12(18-5)11(8-10)15(4)13(17)9-16/h6-8,16H,9H2,1-5H3
InChIKeyFBIDKAPUTUUQNX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide (PubChem CID 115139672) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
PubChem CID115139672
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(C(C)(C)C)cc1N(C)C(=O)CO
InChIInChI=1S/C14H21NO3/c1-14(2,3)10-6-7-12(18-5)11(8-10)15(4)13(17)9-16/h6-8,16H,9H2,1-5H3
InChIKeyFBIDKAPUTUUQNX-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193389
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258334
5-tert-butyl-N-(2-chloroethyl)-2-methoxy-N-methylaniline
CID 115214686
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
CID 69030302
N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide
CID 142093725
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
[4-tert-butyl-2-[ethoxycarbonyl(methyl)amino]phenyl] 2,2-dimethylpropanoate
CID 134520030
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115139923
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide (CID 115139672) is N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide is COc1ccc(C(C)(C)C)cc1N(C)C(=O)CO.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide?
The InChIKey is FBIDKAPUTUUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)10-6-7-12(18-5)11(8-10)15(4)13(17)9-16/h6-8,16H,9H2,1-5H3.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 115139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).