N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide

C15H18N4O4 — CID 94946290

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide
SMILESCCCc1c(CO)nnn1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N4O4/c1-2-3-12-11(8-20)17-18-19(12)7-15(21)16-10-4-5-13-14(6-10)23-9-22-13/h4-6,20H,2-3,7-9H2,1H3,(H,16,21)
InChIKeyYLOVJIAZFKKSCR-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.09
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide (PubChem CID 94946290) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide
PubChem CID94946290
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide
SMILESCCCc1c(CO)nnn1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N4O4/c1-2-3-12-11(8-20)17-18-19(12)7-15(21)16-10-4-5-13-14(6-10)23-9-22-13/h4-6,20H,2-3,7-9H2,1H3,(H,16,21)
InChIKeyYLOVJIAZFKKSCR-UHFFFAOYSA-N
XLogP1.09
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401336
N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3212523
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-triethylazanium
CID 2379667
N-(1,3-benzodioxol-5-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214852
diethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 20852227
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53335184
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 22693487
N-(1,3-benzodioxol-5-yl)-2-(5-ethyl-2-imino-1,3,4-thiadiazol-3-yl)acetamide;hydrochloride
CID 42914746

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide (CID 94946290) is N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide is CCCc1c(CO)nnn1CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide?
The InChIKey is YLOVJIAZFKKSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-3-12-11(8-20)17-18-19(12)7-15(21)16-10-4-5-13-14(6-10)23-9-22-13/h4-6,20H,2-3,7-9H2,1H3,(H,16,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide has a molecular weight of 318.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide is sourced from PubChem (CID 94946290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).