N-(2,2-dimethyloxan-4-yl)propanamide

C10H19NO2 — CID 115563905

IUPACN-(2,2-dimethyloxan-4-yl)propanamide
SMILESCCC(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-4-9(12)11-8-5-6-13-10(2,3)7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeySEDPHXKBOMPNHF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)propanamide

N-(2,2-dimethyloxan-4-yl)propanamide (PubChem CID 115563905) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)propanamide
PubChem CID115563905
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)propanamide
SMILESCCC(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-4-9(12)11-8-5-6-13-10(2,3)7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeySEDPHXKBOMPNHF-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)propanamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)propanamide (CID 115563905) is N-(2,2-dimethyloxan-4-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)propanamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)propanamide is CCC(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)propanamide?
The InChIKey is SEDPHXKBOMPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(12)11-8-5-6-13-10(2,3)7-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-dimethyloxan-4-yl)propanamide?
N-(2,2-dimethyloxan-4-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)propanamide is sourced from PubChem (CID 115563905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).