N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide

C17H24N2O4 — CID 16810187

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-12(2)17(20)18-10-14(19-5-7-21-8-6-19)13-3-4-15-16(9-13)23-11-22-15/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyCJNLYKHDVGHATF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide

N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide (PubChem CID 16810187) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
PubChem CID16810187
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-12(2)17(20)18-10-14(19-5-7-21-8-6-19)13-3-4-15-16(9-13)23-11-22-15/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyCJNLYKHDVGHATF-UHFFFAOYSA-N
XLogP1.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide (CID 16810187) is N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide is CC(C)C(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide?
The InChIKey is CJNLYKHDVGHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)17(20)18-10-14(19-5-7-21-8-6-19)13-3-4-15-16(9-13)23-11-22-15/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide?
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 16810187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).