N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide

C16H24N2O3 — CID 109032304

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-2-3-4-8-17-9-7-16(19)18-13-5-6-14-15(12-13)21-11-10-20-14/h5-6,12,17H,2-4,7-11H2,1H3,(H,18,19)
InChIKeyYHVUHCBMZNOQGM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.57
Rot. Bonds8

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide (PubChem CID 109032304) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
PubChem CID109032304
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-2-3-4-8-17-9-7-16(19)18-13-5-6-14-15(12-13)21-11-10-20-14/h5-6,12,17H,2-4,7-11H2,1H3,(H,18,19)
InChIKeyYHVUHCBMZNOQGM-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017161
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pentylurea
CID 47132513
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide (CID 109032304) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide is CCCCCNCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide?
The InChIKey is YHVUHCBMZNOQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-4-8-17-9-7-16(19)18-13-5-6-14-15(12-13)21-11-10-20-14/h5-6,12,17H,2-4,7-11H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide is sourced from PubChem (CID 109032304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).