N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H22N2O3 — CID 107843665

IUPACN-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESNCCCCCCNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c16-7-3-1-2-4-8-17-15(18)12-5-6-13-14(11-12)20-10-9-19-13/h5-6,11H,1-4,7-10,16H2,(H,17,18)
InChIKeyLHSDQGLFDPJQQW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds7

About N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 107843665) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID107843665
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESNCCCCCCNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c16-7-3-1-2-4-8-17-15(18)12-5-6-13-14(11-12)20-10-9-19-13/h5-6,11H,1-4,7-10,16H2,(H,17,18)
InChIKeyLHSDQGLFDPJQQW-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
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-(4-iodobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106846069
N-(3-cyanopropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 62665672
7-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)heptan-1-one
CID 116551530
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083
N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34713416
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-[4-[[(E)-2-methylbut-2-enoyl]amino]butyl]-1,3-benzodioxole-5-carboxamide
CID 175600146
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 107843665) is N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is NCCCCCCNC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is LHSDQGLFDPJQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-7-3-1-2-4-8-17-15(18)12-5-6-13-14(11-12)20-10-9-19-13/h5-6,11H,1-4,7-10,16H2,(H,17,18).
What are the key properties of N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 107843665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).