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

C8H15NO3 — CID 53434813

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C8H15NO3/c1-6(10)9-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3,(H,9,10)
InChIKeyWAUMPQINBDMEJH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds2

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide (PubChem CID 53434813) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
PubChem CID53434813
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C8H15NO3/c1-6(10)9-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3,(H,9,10)
InChIKeyWAUMPQINBDMEJH-UHFFFAOYSA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide (CID 53434813) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide is CC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
The InChIKey is WAUMPQINBDMEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(10)9-4-7-5-11-8(2,3)12-7/h7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide has a molecular weight of 173.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide is sourced from PubChem (CID 53434813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).