N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide

C9H16N2O4 — CID 67194368

IUPACN-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide
SMILESCC(=O)NCC1OCOC1CNC(C)=O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-3-8-9(15-5-14-8)4-11-7(2)13/h8-9H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyYPLLGWXFFJZQQI-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.00
Rot. Bonds4

About N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide

N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide (PubChem CID 67194368) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide
PubChem CID67194368
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC NameN-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide
SMILESCC(=O)NCC1OCOC1CNC(C)=O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-3-8-9(15-5-14-8)4-11-7(2)13/h8-9H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyYPLLGWXFFJZQQI-UHFFFAOYSA-N
XLogP-1.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide?
The IUPAC name of N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide (CID 67194368) is N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide is CC(=O)NCC1OCOC1CNC(C)=O.
What is the InChIKey of N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide?
The InChIKey is YPLLGWXFFJZQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)10-3-8-9(15-5-14-8)4-11-7(2)13/h8-9H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide?
N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide has a molecular weight of 216.24 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide is sourced from PubChem (CID 67194368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).