2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide

C17H22N2O6 — CID 132777441

IUPAC2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1(COC)CN(C(=O)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C17H22N2O6/c1-18-15(20)8-17(10-22-2)9-19(5-6-25-17)16(21)12-3-4-13-14(7-12)24-11-23-13/h3-4,7H,5-6,8-11H2,1-2H3,(H,18,20)
InChIKeyBNXJRXSZSWHCOW-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.41
Rot. Bonds5

About 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide

2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide (PubChem CID 132777441) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide
PubChem CID132777441
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1(COC)CN(C(=O)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C17H22N2O6/c1-18-15(20)8-17(10-22-2)9-19(5-6-25-17)16(21)12-3-4-13-14(7-12)24-11-23-13/h3-4,7H,5-6,8-11H2,1-2H3,(H,18,20)
InChIKeyBNXJRXSZSWHCOW-UHFFFAOYSA-N
XLogP0.41
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(methoxymethyl)-4-(2-methoxypyridine-3-carbonyl)morpholin-2-yl]-N-methylacetamide
CID 132777070
[(4aS,8aR)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(1,3-benzodioxol-5-yl)methanone
CID 97363072
2-[4-(1,3-benzodioxole-5-carbonyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773928
2-[2-(methoxymethyl)-4-(quinoline-8-carbonyl)morpholin-2-yl]-N-methylacetamide
CID 132777596
[2-(methylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2432731
1-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547998
ethyl 4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808937
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97186942

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide (CID 132777441) is 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide is CNC(=O)CC1(COC)CN(C(=O)c2ccc3c(c2)OCO3)CCO1.
What is the InChIKey of 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
The InChIKey is BNXJRXSZSWHCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-18-15(20)8-17(10-22-2)9-19(5-6-25-17)16(21)12-3-4-13-14(7-12)24-11-23-13/h3-4,7H,5-6,8-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide?
2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide has a molecular weight of 350.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxole-5-carbonyl)-2-(methoxymethyl)morpholin-2-yl]-N-methylacetamide is sourced from PubChem (CID 132777441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).