methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate

C12H15NO4 — CID 115190728

IUPACmethyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cc2c(cc1C)OCO2
InChIInChI=1S/C12H15NO4/c1-8-5-10-11(17-7-16-10)6-9(8)3-4-13-12(14)15-2/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyGQQSTPKHNRXZMR-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.62
Rot. Bonds3

About methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate

methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate (PubChem CID 115190728) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
PubChem CID115190728
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cc2c(cc1C)OCO2
InChIInChI=1S/C12H15NO4/c1-8-5-10-11(17-7-16-10)6-9(8)3-4-13-12(14)15-2/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyGQQSTPKHNRXZMR-UHFFFAOYSA-N
XLogP1.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234
2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115152763
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115180111
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
1-cyano-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172520
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 110789828
2-(3-methoxyphenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789865
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 110789849
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795814
2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]carbamic acid
CID 115171057
2-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)butanoic acid
CID 116926956

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate (CID 115190728) is methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate is COC(=O)NCCc1cc2c(cc1C)OCO2.
What is the InChIKey of methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate?
The InChIKey is GQQSTPKHNRXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-5-10-11(17-7-16-10)6-9(8)3-4-13-12(14)15-2/h5-6H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate?
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate has a molecular weight of 237.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate is sourced from PubChem (CID 115190728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).