N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

C24H31N3O3 — CID 67708219

IUPACN-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCNCCC1COc2ccccc2O1)c1ccccn1
InChIInChI=1S/C24H31N3O3/c28-24(19-8-2-1-3-9-19)27(23-12-6-7-14-26-23)17-16-25-15-13-20-18-29-21-10-4-5-11-22(21)30-20/h4-7,10-12,14,19-20,25H,1-3,8-9,13,15-18H2
InChIKeyAMJZXMDNDRPQBG-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.81
Rot. Bonds8

About N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (PubChem CID 67708219) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
PubChem CID67708219
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCNCCC1COc2ccccc2O1)c1ccccn1
InChIInChI=1S/C24H31N3O3/c28-24(19-8-2-1-3-9-19)27(23-12-6-7-14-26-23)17-16-25-15-13-20-18-29-21-10-4-5-11-22(21)30-20/h4-7,10-12,14,19-20,25H,1-3,8-9,13,15-18H2
InChIKeyAMJZXMDNDRPQBG-UHFFFAOYSA-N
XLogP3.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
CID 23170136
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
CID 969642
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
CID 99933072
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 5057406
N-[2-[[N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111270714
N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 16582894
[2-[4-[2-[cyclohexanecarbonyl(pyridin-2-yl)amino]ethyl]piperazin-1-yl]phenyl] sulfite
CID 10344749
1-cyclopropyl-3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 119069451
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99930130
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]ethanamine
CID 67846112

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide (CID 67708219) is N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCNCCC1COc2ccccc2O1)c1ccccn1.
What is the InChIKey of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
The InChIKey is AMJZXMDNDRPQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-24(19-8-2-1-3-9-19)27(23-12-6-7-14-26-23)17-16-25-15-13-20-18-29-21-10-4-5-11-22(21)30-20/h4-7,10-12,14,19-20,25H,1-3,8-9,13,15-18H2.
What are the key properties of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide?
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 67708219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).