[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C18H16N2O5 — CID 7909009

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1ccco1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O5/c21-15(13-10-20-14-5-2-1-4-12(13)14)11-25-17(22)7-8-19-18(23)16-6-3-9-24-16/h1-6,9-10,20H,7-8,11H2,(H,19,23)
InChIKeyRADSFFPDXXNMMX-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.31
Rot. Bonds7

About [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 7909009) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID7909009
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1ccco1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O5/c21-15(13-10-20-14-5-2-1-4-12(13)14)11-25-17(22)7-8-19-18(23)16-6-3-9-24-16/h1-6,9-10,20H,7-8,11H2,(H,19,23)
InChIKeyRADSFFPDXXNMMX-UHFFFAOYSA-N
XLogP2.31
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7899244
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
CID 7909212
(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate
CID 9292241
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 3362624
[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3937877
[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035639

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 7909009) is [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is O=C(CCNC(=O)c1ccco1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is RADSFFPDXXNMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-15(13-10-20-14-5-2-1-4-12(13)14)11-25-17(22)7-8-19-18(23)16-6-3-9-24-16/h1-6,9-10,20H,7-8,11H2,(H,19,23).
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 340.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).