2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide

C13H26N2O2 — CID 83033234

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15(5)12(16)9-14-11-6-7-17-13(3,4)8-11/h10-11,14H,6-9H2,1-5H3
InChIKeyAPPGFZDVLRWNGU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds4

About 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide

2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 83033234) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide
PubChem CID83033234
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15(5)12(16)9-14-11-6-7-17-13(3,4)8-11/h10-11,14H,6-9H2,1-5H3
InChIKeyAPPGFZDVLRWNGU-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide (CID 83033234) is 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNC1CCOC(C)(C)C1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is APPGFZDVLRWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(5)12(16)9-14-11-6-7-17-13(3,4)8-11/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide?
2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 83033234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).