N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide

C15H23N3O3 — CID 109017161

IUPACN-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
SMILESCN(C)CCCNCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23N3O3/c1-18(2)9-3-7-16-8-6-15(19)17-12-4-5-13-14(10-12)21-11-20-13/h4-5,10,16H,3,6-9,11H2,1-2H3,(H,17,19)
InChIKeyZQZBVKJNXYDNII-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.29
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide

N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide (PubChem CID 109017161) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
PubChem CID109017161
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
SMILESCN(C)CCCNCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23N3O3/c1-18(2)9-3-7-16-8-6-15(19)17-12-4-5-13-14(10-12)21-11-20-13/h4-5,10,16H,3,6-9,11H2,1-2H3,(H,17,19)
InChIKeyZQZBVKJNXYDNII-UHFFFAOYSA-N
XLogP1.29
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994545
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064800
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017139

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide (CID 109017161) is N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide is CN(C)CCCNCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide?
The InChIKey is ZQZBVKJNXYDNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(2)9-3-7-16-8-6-15(19)17-12-4-5-13-14(10-12)21-11-20-13/h4-5,10,16H,3,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.29, 8 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)-3-[3-(dimethylamino)propylamino]propanamide is sourced from PubChem (CID 109017161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).