naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

C21H18N2O3 — CID 24749057

IUPACnaphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O3/c24-17-6-8-20-19(12-17)16(13-23-20)9-10-22-21(25)26-18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-13,23-24H,9-10H2,(H,22,25)
InChIKeyLUTFVXBIRTVZJZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.36
Rot. Bonds4

About naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 24749057) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID24749057
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namenaphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O3/c24-17-6-8-20-19(12-17)16(13-23-20)9-10-22-21(25)26-18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-13,23-24H,9-10H2,(H,22,25)
InChIKeyLUTFVXBIRTVZJZ-UHFFFAOYSA-N
XLogP4.36
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (CID 24749057) is naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is LUTFVXBIRTVZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-17-6-8-20-19(12-17)16(13-23-20)9-10-22-21(25)26-18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-13,23-24H,9-10H2,(H,22,25).
What are the key properties of naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 346.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 24749057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).