1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone

C14H19NO3 — CID 117376223

IUPAC1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C1COC(C)(C)O1
InChIInChI=1S/C14H19NO3/c1-14(2)17-9-13(18-14)11-7-5-4-6-10(11)12(16)8-15-3/h4-7,13,15H,8-9H2,1-3H3
InChIKeyCTRKSBXGMGSSJG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds4

About 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone

1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone (PubChem CID 117376223) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone
PubChem CID117376223
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C1COC(C)(C)O1
InChIInChI=1S/C14H19NO3/c1-14(2)17-9-13(18-14)11-7-5-4-6-10(11)12(16)8-15-3/h4-7,13,15H,8-9H2,1-3H3
InChIKeyCTRKSBXGMGSSJG-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone (CID 117376223) is 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1C1COC(C)(C)O1.
What is the InChIKey of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone?
The InChIKey is CTRKSBXGMGSSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)17-9-13(18-14)11-7-5-4-6-10(11)12(16)8-15-3/h4-7,13,15H,8-9H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone?
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117376223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).