N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C17H22N2O5 — CID 113132985

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H22N2O5/c1-13(20)19(5-4-17(21)18-6-8-22-9-7-18)14-2-3-15-16(12-14)24-11-10-23-15/h2-3,12H,4-11H2,1H3
InChIKeyHAJZFWHSTCHTJC-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.06
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 113132985) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID113132985
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H22N2O5/c1-13(20)19(5-4-17(21)18-6-8-22-9-7-18)14-2-3-15-16(12-14)24-11-10-23-15/h2-3,12H,4-11H2,1H3
InChIKeyHAJZFWHSTCHTJC-UHFFFAOYSA-N
XLogP1.06
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132829
N-(4-ethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113125340
N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113128120
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
N-(3,5-dichlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113134062
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178396
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113120031
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
CID 113133000

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 113132985) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CC(=O)N(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is HAJZFWHSTCHTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-13(20)19(5-4-17(21)18-6-8-22-9-7-18)14-2-3-15-16(12-14)24-11-10-23-15/h2-3,12H,4-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 334.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 113132985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).