ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

C13H17NO2 — CID 4569760

IUPACethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESCCOC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)14-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,2,5,7,9H2,1H3,(H,14,15)
InChIKeyRUQOSAQQCDVMKV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.81
Rot. Bonds2

About ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (PubChem CID 4569760) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
PubChem CID4569760
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESCCOC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)14-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,2,5,7,9H2,1H3,(H,14,15)
InChIKeyRUQOSAQQCDVMKV-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The IUPAC name of ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (CID 4569760) is ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.
What is the SMILES notation for ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The canonical SMILES for ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is CCOC(=O)NC1CCCc2ccccc21.
What is the InChIKey of ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The InChIKey is RUQOSAQQCDVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13(15)14-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,2,5,7,9H2,1H3,(H,14,15).
What are the key properties of ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is sourced from PubChem (CID 4569760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).