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

C13H18N2O3 — CID 60702830

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H18N2O3/c1-2-14-6-5-13(16)15-10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,14H,2,5-8H2,1H3,(H,15,16)
InChIKeyMITFVTGFADTYQL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.40
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide (PubChem CID 60702830) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
PubChem CID60702830
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H18N2O3/c1-2-14-6-5-13(16)15-10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,14H,2,5-8H2,1H3,(H,15,16)
InChIKeyMITFVTGFADTYQL-UHFFFAOYSA-N
XLogP1.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.40
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 109037137
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylanilino)propanamide
CID 109036236
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methylphenyl)propanamide
CID 109034407
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017161
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide (CID 60702830) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide?
The InChIKey is MITFVTGFADTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-14-6-5-13(16)15-10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,14H,2,5-8H2,1H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide has a molecular weight of 250.30 g/mol, XLogP of 1.40, 5 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-(ethylamino)propanamide is sourced from PubChem (CID 60702830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).