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

C15H22N2O4 — CID 63287503

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOCCN(CCCN)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O4/c1-19-8-7-17(6-2-5-16)15(18)12-3-4-13-14(11-12)21-10-9-20-13/h3-4,11H,2,5-10,16H2,1H3
InChIKeyAEFGODQAMIDJLF-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.90
Rot. Bonds7

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

N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 63287503) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID63287503
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOCCN(CCCN)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O4/c1-19-8-7-17(6-2-5-16)15(18)12-3-4-13-14(11-12)21-10-9-20-13/h3-4,11H,2,5-10,16H2,1H3
InChIKeyAEFGODQAMIDJLF-UHFFFAOYSA-N
XLogP0.90
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
ethyl 3-[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]propanoate
CID 42702525
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-one
CID 62789419
N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 107843665
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491157
N-(3-aminopropyl)-2,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 63287508
5-bromo-N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 60608023
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]acetic acid
CID 63650376

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 63287503) is N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COCCN(CCCN)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is AEFGODQAMIDJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-8-7-17(6-2-5-16)15(18)12-3-4-13-14(11-12)21-10-9-20-13/h3-4,11H,2,5-10,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 63287503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).