tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate

C15H21NO4 — CID 63788319

IUPACtert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-5-16(14(17)20-15(2,3)4)9-11-6-7-12-13(8-11)19-10-18-12/h6-8H,5,9-10H2,1-4H3
InChIKeyOCZBRLHXVOYPOC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate

tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate (PubChem CID 63788319) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
PubChem CID63788319
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-5-16(14(17)20-15(2,3)4)9-11-6-7-12-13(8-11)19-10-18-12/h6-8H,5,9-10H2,1-4H3
InChIKeyOCZBRLHXVOYPOC-UHFFFAOYSA-N
XLogP3.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(2-bromoethyl)carbamate
CID 69230263
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(methylamino)propyl]carbamate
CID 46899438
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
CID 142731266
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-[3-[[4-(dimethylamino)phenyl]methylamino]propyl]carbamate
CID 68693661
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
CID 103732398
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(1,3-dioxoisoindol-2-yl)carbamate
CID 67089425
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334
tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
CID 155923548

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate (CID 63788319) is tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate is CCN(Cc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate?
The InChIKey is OCZBRLHXVOYPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-16(14(17)20-15(2,3)4)9-11-6-7-12-13(8-11)19-10-18-12/h6-8H,5,9-10H2,1-4H3.
What are the key properties of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate?
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate has a molecular weight of 279.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate is sourced from PubChem (CID 63788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).