N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide

C11H21NO4 — CID 58215889

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C11H21NO4/c1-8(2)14-7-10(13)12-5-9-6-15-11(3,4)16-9/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyPTZAFFAJVZFXOP-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.68
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 58215889) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide
PubChem CID58215889
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C11H21NO4/c1-8(2)14-7-10(13)12-5-9-6-15-11(3,4)16-9/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyPTZAFFAJVZFXOP-UHFFFAOYSA-N
XLogP0.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide (CID 58215889) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is PTZAFFAJVZFXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)14-7-10(13)12-5-9-6-15-11(3,4)16-9/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 231.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 58215889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).