1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea

C18H19N3O2 — CID 905111

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2/c1-23-17-9-5-4-8-16(17)21-18(22)19-11-10-13-12-20-15-7-3-2-6-14(13)15/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)
InChIKeyJQUQHMQGJLAGBU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea

1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 905111) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID905111
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2/c1-23-17-9-5-4-8-16(17)21-18(22)19-11-10-13-12-20-15-7-3-2-6-14(13)15/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)
InChIKeyJQUQHMQGJLAGBU-UHFFFAOYSA-N
XLogP3.54
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea (CID 905111) is 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is JQUQHMQGJLAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-17-9-5-4-8-16(17)21-18(22)19-11-10-13-12-20-15-7-3-2-6-14(13)15/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea?
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 309.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 905111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).