2,2-dimethyl-N-(oxolan-3-yl)propanamide

C9H17NO2 — CID 58469645

IUPAC2,2-dimethyl-N-(oxolan-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCOC1
InChIInChI=1S/C9H17NO2/c1-9(2,3)8(11)10-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyJTXQOYYHOOMVEC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds1

About 2,2-dimethyl-N-(oxolan-3-yl)propanamide

2,2-dimethyl-N-(oxolan-3-yl)propanamide (PubChem CID 58469645) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxolan-3-yl)propanamide
PubChem CID58469645
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2-dimethyl-N-(oxolan-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCOC1
InChIInChI=1S/C9H17NO2/c1-9(2,3)8(11)10-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyJTXQOYYHOOMVEC-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(oxolan-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(oxolan-3-yl)propanamide (CID 58469645) is 2,2-dimethyl-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(oxolan-3-yl)propanamide is CC(C)(C)C(=O)NC1CCOC1.
What is the InChIKey of 2,2-dimethyl-N-(oxolan-3-yl)propanamide?
The InChIKey is JTXQOYYHOOMVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)8(11)10-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2,2-dimethyl-N-(oxolan-3-yl)propanamide?
2,2-dimethyl-N-(oxolan-3-yl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 58469645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).