N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide

C11H21NO3 — CID 134454830

IUPACN-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide
SMILESCC(=O)C(C)OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7(13)8(2)15-9(3)10(14)12-11(4,5)6/h8-9H,1-6H3,(H,12,14)
InChIKeyOCFASLMTAGVUEO-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.28
Rot. Bonds4

About N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide

N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide (PubChem CID 134454830) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide
PubChem CID134454830
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide
SMILESCC(=O)C(C)OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7(13)8(2)15-9(3)10(14)12-11(4,5)6/h8-9H,1-6H3,(H,12,14)
InChIKeyOCFASLMTAGVUEO-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide?
The IUPAC name of N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide (CID 134454830) is N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide.
What is the SMILES notation for N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide?
The canonical SMILES for N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide is CC(=O)C(C)OC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide?
The InChIKey is OCFASLMTAGVUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(13)8(2)15-9(3)10(14)12-11(4,5)6/h8-9H,1-6H3,(H,12,14).
What are the key properties of N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide?
N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide has a molecular weight of 215.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-oxobutan-2-yloxy)propanamide is sourced from PubChem (CID 134454830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).