ethyl N-(6-hydroxynaphthalen-2-yl)carbamate

C13H13NO3 — CID 68802648

IUPACethyl N-(6-hydroxynaphthalen-2-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cc(O)ccc2c1
InChIInChI=1S/C13H13NO3/c1-2-17-13(16)14-11-5-3-10-8-12(15)6-4-9(10)7-11/h3-8,15H,2H2,1H3,(H,14,16)
InChIKeyLEHLSJRBUHDHGE-UHFFFAOYSA-N
MW231.25 g/mol
LogP3.11
Rot. Bonds2

About ethyl N-(6-hydroxynaphthalen-2-yl)carbamate

ethyl N-(6-hydroxynaphthalen-2-yl)carbamate (PubChem CID 68802648) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl N-(6-hydroxynaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-hydroxynaphthalen-2-yl)carbamate
PubChem CID68802648
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl N-(6-hydroxynaphthalen-2-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cc(O)ccc2c1
InChIInChI=1S/C13H13NO3/c1-2-17-13(16)14-11-5-3-10-8-12(15)6-4-9(10)7-11/h3-8,15H,2H2,1H3,(H,14,16)
InChIKeyLEHLSJRBUHDHGE-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
CID 68802695
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-amino-N-(6-hydroxynaphthalen-2-yl)acetamide
CID 18931987
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-methylisoquinolin-6-yl)carbamate
CID 22674159
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
sodium 7-(ethoxycarbonylamino)-4-hydroxynaphthalene-2-sulfonate
CID 139597197

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-hydroxynaphthalen-2-yl)carbamate?
The IUPAC name of ethyl N-(6-hydroxynaphthalen-2-yl)carbamate (CID 68802648) is ethyl N-(6-hydroxynaphthalen-2-yl)carbamate.
What is the SMILES notation for ethyl N-(6-hydroxynaphthalen-2-yl)carbamate?
The canonical SMILES for ethyl N-(6-hydroxynaphthalen-2-yl)carbamate is CCOC(=O)Nc1ccc2cc(O)ccc2c1.
What is the InChIKey of ethyl N-(6-hydroxynaphthalen-2-yl)carbamate?
The InChIKey is LEHLSJRBUHDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-17-13(16)14-11-5-3-10-8-12(15)6-4-9(10)7-11/h3-8,15H,2H2,1H3,(H,14,16).
What are the key properties of ethyl N-(6-hydroxynaphthalen-2-yl)carbamate?
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-hydroxynaphthalen-2-yl)carbamate is sourced from PubChem (CID 68802648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).