phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate

C18H18N2O3 — CID 5240300

IUPACphenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc2[nH]cc(CCNC(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C18H18N2O3/c1-22-15-7-8-17-16(11-15)13(12-20-17)9-10-19-18(21)23-14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
InChIKeyNCUBQKKDYAQEMD-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.51
Rot. Bonds5

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

phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 5240300) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID5240300
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namephenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc2[nH]cc(CCNC(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C18H18N2O3/c1-22-15-7-8-17-16(11-15)13(12-20-17)9-10-19-18(21)23-14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
InChIKeyNCUBQKKDYAQEMD-UHFFFAOYSA-N
XLogP3.51
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate (CID 5240300) is phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate is COc1ccc2[nH]cc(CCNC(=O)Oc3ccccc3)c2c1.
What is the InChIKey of phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is NCUBQKKDYAQEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-15-7-8-17-16(11-15)13(12-20-17)9-10-19-18(21)23-14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,19,21).
What are the key properties of phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 5240300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).