N-tert-butyl-2-(4-methoxyphenyl)acetamide

C13H19NO2 — CID 743402

IUPACN-tert-butyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)14-12(15)9-10-5-7-11(16-4)8-6-10/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyRMKLKZFLYACKGS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds3

About N-tert-butyl-2-(4-methoxyphenyl)acetamide

N-tert-butyl-2-(4-methoxyphenyl)acetamide (PubChem CID 743402) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methoxyphenyl)acetamide
PubChem CID743402
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-tert-butyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)14-12(15)9-10-5-7-11(16-4)8-6-10/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyRMKLKZFLYACKGS-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-methoxyphenyl)acetamide (CID 743402) is N-tert-butyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is RMKLKZFLYACKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)14-12(15)9-10-5-7-11(16-4)8-6-10/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(4-methoxyphenyl)acetamide?
N-tert-butyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 743402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).