(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate

C14H19NO4 — CID 134094458

IUPAC(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate
SMILESCCCc1cc2c(cc1COC(=O)NCC)OCO2
InChIInChI=1S/C14H19NO4/c1-3-5-10-6-12-13(19-9-18-12)7-11(10)8-17-14(16)15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyIZPKNRFJTJXSQC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.61
Rot. Bonds5

About (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate

(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate (PubChem CID 134094458) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate.

Molecular Properties

Compound Name(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate
PubChem CID134094458
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate
SMILESCCCc1cc2c(cc1COC(=O)NCC)OCO2
InChIInChI=1S/C14H19NO4/c1-3-5-10-6-12-13(19-9-18-12)7-11(10)8-17-14(16)15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyIZPKNRFJTJXSQC-UHFFFAOYSA-N
XLogP2.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(propoxymethyl)-6-propyl-1,3-benzodioxole
CID 91665385
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
3-[6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]propanoic acid
CID 15819508
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethanol
CID 68583308
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;niobium
CID 87087523
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;tungsten
CID 87115513
lithium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride
CID 172997576
magnesium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride;hydrochloride
CID 173191219
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
2-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
CID 55012394
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746
magnesium;butane;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethane
CID 87330887

Frequently Asked Questions

What is the IUPAC name of (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate?
The IUPAC name of (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate (CID 134094458) is (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate.
What is the SMILES notation for (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate?
The canonical SMILES for (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate is CCCc1cc2c(cc1COC(=O)NCC)OCO2.
What is the InChIKey of (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate?
The InChIKey is IZPKNRFJTJXSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-5-10-6-12-13(19-9-18-12)7-11(10)8-17-14(16)15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate?
(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate has a molecular weight of 265.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate is sourced from PubChem (CID 134094458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).