N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide

C15H18N2O5 — CID 51097695

IUPACN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCOCC1
InChIInChI=1S/C15H18N2O5/c1-10(15(19)17-4-6-20-7-5-17)16-14(18)11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10H,4-7,9H2,1H3,(H,16,18)
InChIKeyFYBASFHEOCZWBX-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.39
Rot. Bonds3

About N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 51097695) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID51097695
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCOCC1
InChIInChI=1S/C15H18N2O5/c1-10(15(19)17-4-6-20-7-5-17)16-14(18)11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10H,4-7,9H2,1H3,(H,16,18)
InChIKeyFYBASFHEOCZWBX-UHFFFAOYSA-N
XLogP0.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347765
N-[(1R)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198761
N-[(1S)-2-morpholin-4-yl-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198760
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 51646410
N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198777
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25482263
(2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoic acid
CID 7175693
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide (CID 51097695) is N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is FYBASFHEOCZWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-10(15(19)17-4-6-20-7-5-17)16-14(18)11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide?
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51097695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).