phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate

C17H16N2O2 — CID 60628064

IUPACphenyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccccc12)Oc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-17(21-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12,19H,10-11H2,(H,18,20)
InChIKeyKXQJVRXDPOYTNZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.50
Rot. Bonds4

About phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate

phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 60628064) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID60628064
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namephenyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccccc12)Oc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-17(21-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12,19H,10-11H2,(H,18,20)
InChIKeyKXQJVRXDPOYTNZ-UHFFFAOYSA-N
XLogP3.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate (CID 60628064) is phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccccc12)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is KXQJVRXDPOYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(21-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12,19H,10-11H2,(H,18,20).
What are the key properties of phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 60628064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).