2-(4-tert-butyl-N-methylanilino)-N-methylacetamide

C14H22N2O — CID 60562398

IUPAC2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)11-6-8-12(9-7-11)16(5)10-13(17)15-4/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyLLTPXYYVJICALZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds3

About 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide

2-(4-tert-butyl-N-methylanilino)-N-methylacetamide (PubChem CID 60562398) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
PubChem CID60562398
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)11-6-8-12(9-7-11)16(5)10-13(17)15-4/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyLLTPXYYVJICALZ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide (CID 60562398) is 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide is CNC(=O)CN(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide?
The InChIKey is LLTPXYYVJICALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)11-6-8-12(9-7-11)16(5)10-13(17)15-4/h6-9H,10H2,1-5H3,(H,15,17).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide?
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-N-methylacetamide is sourced from PubChem (CID 60562398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).