N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide

C15H22N2O3 — CID 34599368

IUPACN-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-3-7-17(8-4-2)10-15(18)16-12-5-6-13-14(9-12)20-11-19-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,16,18)
InChIKeyMJOOEQFXCGFGMX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.48
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide (PubChem CID 34599368) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
PubChem CID34599368
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-3-7-17(8-4-2)10-15(18)16-12-5-6-13-14(9-12)20-11-19-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,16,18)
InChIKeyMJOOEQFXCGFGMX-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371333
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921602
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-triethylazanium
CID 2379667
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide (CID 34599368) is N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide is CCCN(CCC)CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide?
The InChIKey is MJOOEQFXCGFGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-17(8-4-2)10-15(18)16-12-5-6-13-14(9-12)20-11-19-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide is sourced from PubChem (CID 34599368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).