N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide

C11H21NO2 — CID 90731465

IUPACN-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCN(C(=O)CC1CCOC1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)12(4)10(13)7-9-5-6-14-8-9/h9H,5-8H2,1-4H3
InChIKeyNKAMEGBESGHLIB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds2

About N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide

N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide (PubChem CID 90731465) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide
PubChem CID90731465
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCN(C(=O)CC1CCOC1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)12(4)10(13)7-9-5-6-14-8-9/h9H,5-8H2,1-4H3
InChIKeyNKAMEGBESGHLIB-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide (CID 90731465) is N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide is CN(C(=O)CC1CCOC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide?
The InChIKey is NKAMEGBESGHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)12(4)10(13)7-9-5-6-14-8-9/h9H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide?
N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 90731465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).