tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate

C17H25NO3 — CID 58093500

IUPACtert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
SMILESCCOC1CCc2cccc(NC(=O)OC(C)(C)C)c2C1
InChIInChI=1S/C17H25NO3/c1-5-20-13-10-9-12-7-6-8-15(14(12)11-13)18-16(19)21-17(2,3)4/h6-8,13H,5,9-11H2,1-4H3,(H,18,19)
InChIKeyLQFSFRNHAIFDEC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate

tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate (PubChem CID 58093500) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
PubChem CID58093500
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
SMILESCCOC1CCc2cccc(NC(=O)OC(C)(C)C)c2C1
InChIInChI=1S/C17H25NO3/c1-5-20-13-10-9-12-7-6-8-15(14(12)11-13)18-16(19)21-17(2,3)4/h6-8,13H,5,9-11H2,1-4H3,(H,18,19)
InChIKeyLQFSFRNHAIFDEC-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(7-ethoxy-5,6,7,8-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 tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
The IUPAC name of tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate (CID 58093500) is tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate is CCOC1CCc2cccc(NC(=O)OC(C)(C)C)c2C1.
What is the InChIKey of tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
The InChIKey is LQFSFRNHAIFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-20-13-10-9-12-7-6-8-15(14(12)11-13)18-16(19)21-17(2,3)4/h6-8,13H,5,9-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamate is sourced from PubChem (CID 58093500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).