N-tert-butyl-2-methoxypropanamide

C8H17NO2 — CID 112685516

IUPACN-tert-butyl-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(11-5)7(10)9-8(2,3)4/h6H,1-5H3,(H,9,10)
InChIKeyLGLNBCLVFVOLBT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds2

About N-tert-butyl-2-methoxypropanamide

N-tert-butyl-2-methoxypropanamide (PubChem CID 112685516) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-tert-butyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxypropanamide
PubChem CID112685516
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-tert-butyl-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(11-5)7(10)9-8(2,3)4/h6H,1-5H3,(H,9,10)
InChIKeyLGLNBCLVFVOLBT-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
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-methoxypropanamide?
The IUPAC name of N-tert-butyl-2-methoxypropanamide (CID 112685516) is N-tert-butyl-2-methoxypropanamide.
What is the SMILES notation for N-tert-butyl-2-methoxypropanamide?
The canonical SMILES for N-tert-butyl-2-methoxypropanamide is COC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxypropanamide?
The InChIKey is LGLNBCLVFVOLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(11-5)7(10)9-8(2,3)4/h6H,1-5H3,(H,9,10).
What are the key properties of N-tert-butyl-2-methoxypropanamide?
N-tert-butyl-2-methoxypropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxypropanamide is sourced from PubChem (CID 112685516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).