N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C16H20N2O5 — CID 113132829

IUPACN-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H20N2O5/c1-12(19)18(5-4-16(20)17-6-8-21-9-7-17)13-2-3-14-15(10-13)23-11-22-14/h2-3,10H,4-9,11H2,1H3
InChIKeyXZNQWWAJZXMOIX-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.02
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 113132829) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID113132829
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H20N2O5/c1-12(19)18(5-4-16(20)17-6-8-21-9-7-17)13-2-3-14-15(10-13)23-11-22-14/h2-3,10H,4-9,11H2,1H3
InChIKeyXZNQWWAJZXMOIX-UHFFFAOYSA-N
XLogP1.02
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132985
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
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-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113132906
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113132959
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 113132829) is N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CC(=O)N(CCC(=O)N1CCOCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is XZNQWWAJZXMOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-12(19)18(5-4-16(20)17-6-8-21-9-7-17)13-2-3-14-15(10-13)23-11-22-14/h2-3,10H,4-9,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 113132829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).