N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide

C14H21NO3 — CID 24657024

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-14(2,3)10-6-7-12(18-5)11(8-10)15-13(16)9-17-4/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyMVCJTYORSBUGMA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.58
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide (PubChem CID 24657024) 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-methoxyacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
PubChem CID24657024
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-14(2,3)10-6-7-12(18-5)11(8-10)15-13(16)9-17-4/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyMVCJTYORSBUGMA-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
N-(5-tert-butyl-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 16546420
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-chlorobenzoate
CID 3394111
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2335761
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide (CID 24657024) is N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide?
The InChIKey is MVCJTYORSBUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)10-6-7-12(18-5)11(8-10)15-13(16)9-17-4/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide has a molecular weight of 251.33 g/mol, XLogP of 2.58, 4 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-methoxyacetamide is sourced from PubChem (CID 24657024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).