N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C18H23NO4 — CID 124751545

IUPACN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(N[C@H]1COC2(CCCCC2)C1)c1cccc2c1OCCO2
InChIInChI=1S/C18H23NO4/c20-17(14-5-4-6-15-16(14)22-10-9-21-15)19-13-11-18(23-12-13)7-2-1-3-8-18/h4-6,13H,1-3,7-12H2,(H,19,20)/t13-/m1/s1
InChIKeyGYABURCBARXWEO-CYBMUJFWSA-N
MW317.39 g/mol
LogP2.68
Rot. Bonds2

About N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 124751545) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID124751545
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(N[C@H]1COC2(CCCCC2)C1)c1cccc2c1OCCO2
InChIInChI=1S/C18H23NO4/c20-17(14-5-4-6-15-16(14)22-10-9-21-15)19-13-11-18(23-12-13)7-2-1-3-8-18/h4-6,13H,1-3,7-12H2,(H,19,20)/t13-/m1/s1
InChIKeyGYABURCBARXWEO-CYBMUJFWSA-N
XLogP2.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide with MolForge

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Related Compounds

2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
N-(1-cyanocyclohexyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 61120527
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118762504
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 55100680
6-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114632329
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120546388
N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99714773
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 124751545) is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(N[C@H]1COC2(CCCCC2)C1)c1cccc2c1OCCO2.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is GYABURCBARXWEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(14-5-4-6-15-16(14)22-10-9-21-15)19-13-11-18(23-12-13)7-2-1-3-8-18/h4-6,13H,1-3,7-12H2,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 124751545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).