methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate

C19H20N2O2 — CID 135031870

IUPACmethyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-19(22)20-12-11-16-14-21(13-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyBLADIBNFOFVCPC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.59
Rot. Bonds5

About methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate

methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate (PubChem CID 135031870) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
PubChem CID135031870
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namemethyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-19(22)20-12-11-16-14-21(13-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyBLADIBNFOFVCPC-UHFFFAOYSA-N
XLogP3.59
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate (CID 135031870) is methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate is COC(=O)NCCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
The InChIKey is BLADIBNFOFVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-19(22)20-12-11-16-14-21(13-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,14H,11-13H2,1H3,(H,20,22).
What are the key properties of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 135031870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).