N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide

C20H27N3O4 — CID 119069583

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCN1C(=O)CCC12CCN(C(=O)NCCC1COc3ccccc3O1)CC2
InChIInChI=1S/C20H27N3O4/c1-22-18(24)6-8-20(22)9-12-23(13-10-20)19(25)21-11-7-15-14-26-16-4-2-3-5-17(16)27-15/h2-5,15H,6-14H2,1H3,(H,21,25)
InChIKeyGXSQVYHKURSHMH-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.01
Rot. Bonds3

About N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 119069583) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID119069583
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCN1C(=O)CCC12CCN(C(=O)NCCC1COc3ccccc3O1)CC2
InChIInChI=1S/C20H27N3O4/c1-22-18(24)6-8-20(22)9-12-23(13-10-20)19(25)21-11-7-15-14-26-16-4-2-3-5-17(16)27-15/h2-5,15H,6-14H2,1H3,(H,21,25)
InChIKeyGXSQVYHKURSHMH-UHFFFAOYSA-N
XLogP2.01
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 126443498
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 126435416
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-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 99945179
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 95142240
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 72850967
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N-methylpiperidine-1,4-dicarboxamide
CID 71900515
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99937966
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 99930693
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]-1-methylindole-6-carboxamide
CID 97275321

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide (CID 119069583) is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide is CN1C(=O)CCC12CCN(C(=O)NCCC1COc3ccccc3O1)CC2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is GXSQVYHKURSHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-22-18(24)6-8-20(22)9-12-23(13-10-20)19(25)21-11-7-15-14-26-16-4-2-3-5-17(16)27-15/h2-5,15H,6-14H2,1H3,(H,21,25).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 119069583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).