N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide

C12H23NO2 — CID 59440867

IUPACN,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCN(CC1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)11(14)13(4)9-10-5-7-15-8-6-10/h10H,5-9H2,1-4H3
InChIKeyGJLBKABXBWVVFX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds2

About N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide

N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 59440867) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID59440867
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCN(CC1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)11(14)13(4)9-10-5-7-15-8-6-10/h10H,5-9H2,1-4H3
InChIKeyGJLBKABXBWVVFX-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide (CID 59440867) is N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide is CN(CC1CCOCC1)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is GJLBKABXBWVVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)11(14)13(4)9-10-5-7-15-8-6-10/h10H,5-9H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide?
N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 59440867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).