N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide

C15H21NO3 — CID 10355391

IUPACN-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc2c1OCCO2
InChIInChI=1S/C15H21NO3/c1-2-5-14(17)16-9-4-7-12-6-3-8-13-15(12)19-11-10-18-13/h3,6,8H,2,4-5,7,9-11H2,1H3,(H,16,17)
InChIKeyDVPDMESGNBGBDB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds6

About N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide

N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide (PubChem CID 10355391) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide
PubChem CID10355391
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc2c1OCCO2
InChIInChI=1S/C15H21NO3/c1-2-5-14(17)16-9-4-7-12-6-3-8-13-15(12)19-11-10-18-13/h3,6,8H,2,4-5,7,9-11H2,1H3,(H,16,17)
InChIKeyDVPDMESGNBGBDB-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide?
The IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide (CID 10355391) is N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide?
The canonical SMILES for N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide is CCCC(=O)NCCCc1cccc2c1OCCO2.
What is the InChIKey of N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide?
The InChIKey is DVPDMESGNBGBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-5-14(17)16-9-4-7-12-6-3-8-13-15(12)19-11-10-18-13/h3,6,8H,2,4-5,7,9-11H2,1H3,(H,16,17).
What are the key properties of N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide?
N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]butanamide is sourced from PubChem (CID 10355391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).