N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide

C18H25N3O3 — CID 119933392

IUPACN-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide
SMILESO=C(CN1CCNCC12CCCCC2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O3/c22-17(20-14-4-5-15-16(10-14)24-13-23-15)11-21-9-8-19-12-18(21)6-2-1-3-7-18/h4-5,10,19H,1-3,6-9,11-13H2,(H,20,22)
InChIKeyMVISATNWWIEEJR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.96
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide (PubChem CID 119933392) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide
PubChem CID119933392
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide
SMILESO=C(CN1CCNCC12CCCCC2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O3/c22-17(20-14-4-5-15-16(10-14)24-13-23-15)11-21-9-8-19-12-18(21)6-2-1-3-7-18/h4-5,10,19H,1-3,6-9,11-13H2,(H,20,22)
InChIKeyMVISATNWWIEEJR-UHFFFAOYSA-N
XLogP1.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
CID 7440488
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 11940591
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950080
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 172892684
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9403547
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide (CID 119933392) is N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide is O=C(CN1CCNCC12CCCCC2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide?
The InChIKey is MVISATNWWIEEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(20-14-4-5-15-16(10-14)24-13-23-15)11-21-9-8-19-12-18(21)6-2-1-3-7-18/h4-5,10,19H,1-3,6-9,11-13H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide is sourced from PubChem (CID 119933392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).