N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide

C12H16N2O4 — CID 60702748

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
SMILESCCONCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H16N2O4/c1-2-18-13-8-12(15)14-9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7,13H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyNBQLNSNQMPHUQW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.94
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide (PubChem CID 60702748) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
PubChem CID60702748
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
SMILESCCONCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H16N2O4/c1-2-18-13-8-12(15)14-9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7,13H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyNBQLNSNQMPHUQW-UHFFFAOYSA-N
XLogP0.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463651
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
CID 43389718
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111245
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 115609551
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955901

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide (CID 60702748) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide is CCONCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide?
The InChIKey is NBQLNSNQMPHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-18-13-8-12(15)14-9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7,13H,2,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide has a molecular weight of 252.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide is sourced from PubChem (CID 60702748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).