N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide

C12H23NO2 — CID 51082625

IUPACN-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-13(11(14)12(2,3)4)8-10-6-7-15-9-10/h10H,5-9H2,1-4H3
InChIKeyIMLATTFOCKRWBO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds3

About N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide

N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 51082625) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
PubChem CID51082625
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-13(11(14)12(2,3)4)8-10-6-7-15-9-10/h10H,5-9H2,1-4H3
InChIKeyIMLATTFOCKRWBO-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide (CID 51082625) is N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide is CCN(CC1CCOC1)C(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is IMLATTFOCKRWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-13(11(14)12(2,3)4)8-10-6-7-15-9-10/h10H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide?
N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 51082625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).