2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide

C18H24N2O5 — CID 91957323

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C18H24N2O5/c21-17(10-23-14-1-2-15-16(9-14)25-13-24-15)19-11-18(3-4-18)12-20-5-7-22-8-6-20/h1-2,9H,3-8,10-13H2,(H,19,21)
InChIKeyVNFKFDGBOKBUGK-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.02
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide (PubChem CID 91957323) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide
PubChem CID91957323
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C18H24N2O5/c21-17(10-23-14-1-2-15-16(9-14)25-13-24-15)19-11-18(3-4-18)12-20-5-7-22-8-6-20/h1-2,9H,3-8,10-13H2,(H,19,21)
InChIKeyVNFKFDGBOKBUGK-UHFFFAOYSA-N
XLogP1.02
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 171132856
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91957211
2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17310325
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
CID 29454663
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide (CID 91957323) is 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide is O=C(COc1ccc2c(c1)OCO2)NCC1(CN2CCOCC2)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide?
The InChIKey is VNFKFDGBOKBUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-17(10-23-14-1-2-15-16(9-14)25-13-24-15)19-11-18(3-4-18)12-20-5-7-22-8-6-20/h1-2,9H,3-8,10-13H2,(H,19,21).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 91957323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).