N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H23NO4 — CID 103944437

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-11(2,3)15-8-10(14)13-6-9-7-16-12(4,5)17-9/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyFPYMVLQZABCDLN-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.07
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103944437) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103944437
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-11(2,3)15-8-10(14)13-6-9-7-16-12(4,5)17-9/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyFPYMVLQZABCDLN-UHFFFAOYSA-N
XLogP1.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.07
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-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103944437) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is FPYMVLQZABCDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)15-8-10(14)13-6-9-7-16-12(4,5)17-9/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 245.32 g/mol, XLogP of 1.07, 4 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103944437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).