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

C24H21N3O3 — CID 4256084

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
SMILESCOc1cc2c(cc1NC(=O)NCCc1c[nH]c3ccccc13)oc1ccccc12
InChIInChI=1S/C24H21N3O3/c1-29-23-12-18-17-7-3-5-9-21(17)30-22(18)13-20(23)27-24(28)25-11-10-15-14-26-19-8-4-2-6-16(15)19/h2-9,12-14,26H,10-11H2,1H3,(H2,25,27,28)
InChIKeyHRMXCUWZBGGCSP-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.44
Rot. Bonds5

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

1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea (PubChem CID 4256084) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
PubChem CID4256084
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
SMILESCOc1cc2c(cc1NC(=O)NCCc1c[nH]c3ccccc13)oc1ccccc12
InChIInChI=1S/C24H21N3O3/c1-29-23-12-18-17-7-3-5-9-21(17)30-22(18)13-20(23)27-24(28)25-11-10-15-14-26-19-8-4-2-6-16(15)19/h2-9,12-14,26H,10-11H2,1H3,(H2,25,27,28)
InChIKeyHRMXCUWZBGGCSP-UHFFFAOYSA-N
XLogP5.44
TPSA79.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3972625
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 71895973
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3933614
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea (CID 4256084) is 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea is COc1cc2c(cc1NC(=O)NCCc1c[nH]c3ccccc13)oc1ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
The InChIKey is HRMXCUWZBGGCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-23-12-18-17-7-3-5-9-21(17)30-22(18)13-20(23)27-24(28)25-11-10-15-14-26-19-8-4-2-6-16(15)19/h2-9,12-14,26H,10-11H2,1H3,(H2,25,27,28).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea has a molecular weight of 399.45 g/mol, XLogP of 5.44, 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-methoxydibenzofuran-3-yl)urea is sourced from PubChem (CID 4256084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).