benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

C19H21NO3 — CID 54762648

IUPACbenzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOc1cccc2c1CCC(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C19H21NO3/c1-22-18-9-5-8-15-12-16(10-11-17(15)18)20-19(21)23-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,20,21)
InChIKeyIZYARDRBQJWTDL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.48
Rot. Bonds4

About benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 54762648) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID54762648
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOc1cccc2c1CCC(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C19H21NO3/c1-22-18-9-5-8-15-12-16(10-11-17(15)18)20-19(21)23-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,20,21)
InChIKeyIZYARDRBQJWTDL-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 54762648) is benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is COc1cccc2c1CCC(NC(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is IZYARDRBQJWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-18-9-5-8-15-12-16(10-11-17(15)18)20-19(21)23-13-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3,(H,20,21).
What are the key properties of benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 54762648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).