N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide

C15H18N2O5 — CID 713038

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCOCC1)OCO2
InChIInChI=1S/C15H18N2O5/c1-10(18)11-6-13-14(22-9-21-13)7-12(11)16-15(19)8-17-2-4-20-5-3-17/h6-7H,2-5,8-9H2,1H3,(H,16,19)
InChIKeyGMCKNDRBZFCSBB-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.89
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 713038) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
PubChem CID713038
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCOCC1)OCO2
InChIInChI=1S/C15H18N2O5/c1-10(18)11-6-13-14(22-9-21-13)7-12(11)16-15(19)8-17-2-4-20-5-3-17/h6-7H,2-5,8-9H2,1H3,(H,16,19)
InChIKeyGMCKNDRBZFCSBB-UHFFFAOYSA-N
XLogP0.89
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide (CID 713038) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCOCC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is GMCKNDRBZFCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-10(18)11-6-13-14(22-9-21-13)7-12(11)16-15(19)8-17-2-4-20-5-3-17/h6-7H,2-5,8-9H2,1H3,(H,16,19).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 306.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 713038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).