oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate

C16H21NO5 — CID 166468674

IUPACoxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
SMILESCC(Cc1ccc2c(c1)OCO2)N(C)C(=O)OC1CCOC1
InChIInChI=1S/C16H21NO5/c1-11(17(2)16(18)22-13-5-6-19-9-13)7-12-3-4-14-15(8-12)21-10-20-14/h3-4,8,11,13H,5-7,9-10H2,1-2H3
InChIKeyWSZUEDKXTVWMSP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.20
Rot. Bonds4

About oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate

oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate (PubChem CID 166468674) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
PubChem CID166468674
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Nameoxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
SMILESCC(Cc1ccc2c(c1)OCO2)N(C)C(=O)OC1CCOC1
InChIInChI=1S/C16H21NO5/c1-11(17(2)16(18)22-13-5-6-19-9-13)7-12-3-4-14-15(8-12)21-10-20-14/h3-4,8,11,13H,5-7,9-10H2,1-2H3
InChIKeyWSZUEDKXTVWMSP-UHFFFAOYSA-N
XLogP2.20
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxymethyl oxan-4-yl carbonate
CID 166468666
2-morpholin-4-ylethyl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468394
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
1-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxyethyl 2-amino-3-hydroxypropanoate
CID 166468376
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-hydroxy-N-methylpropanamide
CID 166468308
2-(4-methylpiperazin-1-yl)ethyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468367
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylbutanamide
CID 170289986
(3S)-3-amino-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]-4-oxobutanoic acid
CID 167310185
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 169286660
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
The IUPAC name of oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate (CID 166468674) is oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate.
What is the SMILES notation for oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
The canonical SMILES for oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate is CC(Cc1ccc2c(c1)OCO2)N(C)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
The InChIKey is WSZUEDKXTVWMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(17(2)16(18)22-13-5-6-19-9-13)7-12-3-4-14-15(8-12)21-10-20-14/h3-4,8,11,13H,5-7,9-10H2,1-2H3.
What are the key properties of oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate?
oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate has a molecular weight of 307.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 166468674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).