1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

C22H23N3O3 — CID 113217759

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C22H23N3O3/c26-22(23-8-5-15-12-24-19-4-2-1-3-16(15)19)25-13-18-17-7-10-27-20(17)11-14-6-9-28-21(14)18/h1-4,11-12,24H,5-10,13H2,(H2,23,25,26)
InChIKeyXRSVRFZEPRATSU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (PubChem CID 113217759) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
PubChem CID113217759
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C22H23N3O3/c26-22(23-8-5-15-12-24-19-4-2-1-3-16(15)19)25-13-18-17-7-10-27-20(17)11-14-6-9-28-21(14)18/h1-4,11-12,24H,5-10,13H2,(H2,23,25,26)
InChIKeyXRSVRFZEPRATSU-UHFFFAOYSA-N
XLogP3.08
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 71754378
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763695
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113197917
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
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095277
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (CID 113217759) is 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is O=C(NCCc1c[nH]c2ccccc12)NCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The InChIKey is XRSVRFZEPRATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(23-8-5-15-12-24-19-4-2-1-3-16(15)19)25-13-18-17-7-10-27-20(17)11-14-6-9-28-21(14)18/h1-4,11-12,24H,5-10,13H2,(H2,23,25,26).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea has a molecular weight of 377.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is sourced from PubChem (CID 113217759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).