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

C13H17N3O2 — CID 110894130

IUPAC1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCO)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O2/c17-8-7-15-13(18)14-6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16-17H,5-8H2,(H2,14,15,18)
InChIKeyVVKLVWZKOVNISD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.00
Rot. Bonds5

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

1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 110894130) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID110894130
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCO)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O2/c17-8-7-15-13(18)14-6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16-17H,5-8H2,(H2,14,15,18)
InChIKeyVVKLVWZKOVNISD-UHFFFAOYSA-N
XLogP1.00
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 110894130) is 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCO)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is VVKLVWZKOVNISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-8-7-15-13(18)14-6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16-17H,5-8H2,(H2,14,15,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 247.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 110894130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).