2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate

C20H28N2O5 — CID 167310060

IUPAC2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
SMILESC[C@@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)OCCN1CCC2(COC2)C1
InChIInChI=1S/C20H28N2O5/c1-15(9-16-3-4-17-18(10-16)27-14-26-17)21(2)19(23)25-8-7-22-6-5-20(11-22)12-24-13-20/h3-4,10,15H,5-9,11-14H2,1-2H3/t15-/m0/s1
InChIKeyPNEXPXPZHFJUNQ-HNNXBMFYSA-N
MW376.45 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate

2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate (PubChem CID 167310060) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
PubChem CID167310060
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
SMILESC[C@@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)OCCN1CCC2(COC2)C1
InChIInChI=1S/C20H28N2O5/c1-15(9-16-3-4-17-18(10-16)27-14-26-17)21(2)19(23)25-8-7-22-6-5-20(11-22)12-24-13-20/h3-4,10,15H,5-9,11-14H2,1-2H3/t15-/m0/s1
InChIKeyPNEXPXPZHFJUNQ-HNNXBMFYSA-N
XLogP2.14
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

2-morpholin-4-ylethyl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468394
2-(4-methylpiperazin-1-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468367
5-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxypentanoic acid
CID 166468658
[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxymethyl 2-(dimethylamino)acetate
CID 166468611
7-(1,3-benzodioxol-5-ylmethyl)-2-oxa-7-azaspiro[3.4]octane
CID 46889877
2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)ethyl N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 177118516
oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468674
[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxymethyl oxan-4-yl carbonate
CID 166468666
2-(1,3-oxazinan-3-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-[[5-[(2S)-2-[[5-[(2S)-2-[[5-[(2S)-2-[methyl-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethoxycarbonyl]amino]propyl]-1,3-benzodioxol-2-yl]-[2-(8-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl)ethoxycarbonyl]amino]propyl]-1,3-benzodioxol-2-yl]methyl-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethoxycarbonyl]amino]propyl]-1,3-benzodioxol-2-yl]methyl]carbamate
CID 167310059
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylbutanamide
CID 170289986
1-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxyethyl 2-amino-3-hydroxypropanoate
CID 166468376
2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 168989746

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
The IUPAC name of 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate (CID 167310060) is 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate.
What is the SMILES notation for 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
The canonical SMILES for 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate is C[C@@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)OCCN1CCC2(COC2)C1.
What is the InChIKey of 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
The InChIKey is PNEXPXPZHFJUNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-15(9-16-3-4-17-18(10-16)27-14-26-17)21(2)19(23)25-8-7-22-6-5-20(11-22)12-24-13-20/h3-4,10,15H,5-9,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate has a molecular weight of 376.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 167310060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).