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

C14H20N2O3 — CID 43236461

IUPAC2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCCCNCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-2-3-6-15-10-14(17)16-11-4-5-12-13(9-11)19-8-7-18-12/h4-5,9,15H,2-3,6-8,10H2,1H3,(H,16,17)
InChIKeyNOUUPZNGIGPRIG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.79
Rot. Bonds6

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

2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 43236461) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID43236461
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCCCNCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-2-3-6-15-10-14(17)16-11-4-5-12-13(9-11)19-8-7-18-12/h4-5,9,15H,2-3,6-8,10H2,1H3,(H,16,17)
InChIKeyNOUUPZNGIGPRIG-UHFFFAOYSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.79
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)-2-(3-methylsulfanylpropylamino)acetamide
CID 63967352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
2-[3-(diethylamino)propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;oxalic acid
CID 175652974
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
CID 43389718
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111245
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
CID 60702748

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 43236461) is 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CCCCNCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is NOUUPZNGIGPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-6-15-10-14(17)16-11-4-5-12-13(9-11)19-8-7-18-12/h4-5,9,15H,2-3,6-8,10H2,1H3,(H,16,17).
What are the key properties of 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 43236461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).