methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate

C22H20N4O6 — CID 24829332

IUPACmethyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate
SMILESCOC(=O)Nc1coc(C(=O)Nc2coc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C22H20N4O6/c1-30-22(29)26-15-9-19(32-12-15)21(28)25-14-8-18(31-11-14)20(27)23-7-6-13-10-24-17-5-3-2-4-16(13)17/h2-5,8-12,24H,6-7H2,1H3,(H,23,27)(H,25,28)(H,26,29)
InChIKeyOHKHJUCMNWFOEB-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.76
Rot. Bonds7

About methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate

methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate (PubChem CID 24829332) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate
PubChem CID24829332
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Namemethyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate
SMILESCOC(=O)Nc1coc(C(=O)Nc2coc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C22H20N4O6/c1-30-22(29)26-15-9-19(32-12-15)21(28)25-14-8-18(31-11-14)20(27)23-7-6-13-10-24-17-5-3-2-4-16(13)17/h2-5,8-12,24H,6-7H2,1H3,(H,23,27)(H,25,28)(H,26,29)
InChIKeyOHKHJUCMNWFOEB-UHFFFAOYSA-N
XLogP3.76
TPSA138.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate?
The IUPAC name of methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate (CID 24829332) is methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate?
The canonical SMILES for methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate is COC(=O)Nc1coc(C(=O)Nc2coc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1.
What is the InChIKey of methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate?
The InChIKey is OHKHJUCMNWFOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-30-22(29)26-15-9-19(32-12-15)21(28)25-14-8-18(31-11-14)20(27)23-7-6-13-10-24-17-5-3-2-4-16(13)17/h2-5,8-12,24H,6-7H2,1H3,(H,23,27)(H,25,28)(H,26,29).
What are the key properties of methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate?
methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate has a molecular weight of 436.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate is sourced from PubChem (CID 24829332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).