N-(3-tert-butylphenyl)-2-methoxyacetamide

C13H19NO2 — CID 59139856

IUPACN-(3-tert-butylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)14-12(15)9-16-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyZAQCGHANHUHUPV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.57
Rot. Bonds3

About N-(3-tert-butylphenyl)-2-methoxyacetamide

N-(3-tert-butylphenyl)-2-methoxyacetamide (PubChem CID 59139856) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-2-methoxyacetamide
PubChem CID59139856
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-tert-butylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)14-12(15)9-16-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyZAQCGHANHUHUPV-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 62833409
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
CID 81410812
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
2-(4-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 51121142
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
CID 60732546
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(3-tert-butylphenyl)-2-methoxyacetamide (CID 59139856) is N-(3-tert-butylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-tert-butylphenyl)-2-methoxyacetamide is COCC(=O)Nc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-2-methoxyacetamide?
The InChIKey is ZAQCGHANHUHUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-6-5-7-11(8-10)14-12(15)9-16-4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-(3-tert-butylphenyl)-2-methoxyacetamide?
N-(3-tert-butylphenyl)-2-methoxyacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 59139856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).