N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide

C15H29NO2 — CID 58297239

IUPACN-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide
SMILESCN(C(=O)CC1CCOCC1)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)15(4,5)16(6)13(17)11-12-7-9-18-10-8-12/h12H,7-11H2,1-6H3
InChIKeyXQUWXGFEHPOPEE-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.09
Rot. Bonds3

About N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide

N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide (PubChem CID 58297239) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide
PubChem CID58297239
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide
SMILESCN(C(=O)CC1CCOCC1)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)15(4,5)16(6)13(17)11-12-7-9-18-10-8-12/h12H,7-11H2,1-6H3
InChIKeyXQUWXGFEHPOPEE-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide?
The IUPAC name of N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide (CID 58297239) is N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide is CN(C(=O)CC1CCOCC1)C(C)(C)C(C)(C)C.
What is the InChIKey of N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide?
The InChIKey is XQUWXGFEHPOPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)15(4,5)16(6)13(17)11-12-7-9-18-10-8-12/h12H,7-11H2,1-6H3.
What are the key properties of N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide?
N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide has a molecular weight of 255.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)-N-(2,3,3-trimethylbutan-2-yl)acetamide is sourced from PubChem (CID 58297239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).