N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide

C16H24N2O3 — CID 43548138

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide
SMILESCCCCCCCC(=O)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-16(19)18-13-11-15-14(10-12(13)17)20-8-9-21-15/h10-11H,2-9,17H2,1H3,(H,18,19)
InChIKeyXLFQISWKUSFEKG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.34
Rot. Bonds7

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide (PubChem CID 43548138) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide
PubChem CID43548138
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide
SMILESCCCCCCCC(=O)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-16(19)18-13-11-15-14(10-12(13)17)20-8-9-21-15/h10-11H,2-9,17H2,1H3,(H,18,19)
InChIKeyXLFQISWKUSFEKG-UHFFFAOYSA-N
XLogP3.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)octanamide
CID 134045874
[6-(octadecanoylamino)-2,3-dihydro-1,4-benzodioxin-7-yl]methylphosphonic acid
CID 139843340
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119618173
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide
CID 119619072
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide;hydrochloride
CID 119619071
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanamide
CID 43548167
7-amino-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)heptanamide
CID 119764658
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide
CID 43548135
N-(2-aminophenyl)octadecanamide
CID 68839220

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide (CID 43548138) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide is CCCCCCCC(=O)Nc1cc2c(cc1N)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide?
The InChIKey is XLFQISWKUSFEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-16(19)18-13-11-15-14(10-12(13)17)20-8-9-21-15/h10-11H,2-9,17H2,1H3,(H,18,19).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide has a molecular weight of 292.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide is sourced from PubChem (CID 43548138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).