[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate

C28H28N2O5 — CID 4837818

IUPAC[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCn1c(-c2ccccc2)c(C(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c2ccccc21
InChIInChI=1S/C28H28N2O5/c1-4-30-21-14-9-8-13-20(21)24(26(30)19-11-6-5-7-12-19)22(31)17-35-28(33)25(18(2)3)29-27(32)23-15-10-16-34-23/h5-16,18,25H,4,17H2,1-3H3,(H,29,32)
InChIKeyFRVKNKGQJUWILB-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.10
Rot. Bonds9

About [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate

[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 4837818) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID4837818
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCCn1c(-c2ccccc2)c(C(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c2ccccc21
InChIInChI=1S/C28H28N2O5/c1-4-30-21-14-9-8-13-20(21)24(26(30)19-11-6-5-7-12-19)22(31)17-35-28(33)25(18(2)3)29-27(32)23-15-10-16-34-23/h5-16,18,25H,4,17H2,1-3H3,(H,29,32)
InChIKeyFRVKNKGQJUWILB-UHFFFAOYSA-N
XLogP5.10
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566368
(3-chloro-4-methylquinolin-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575946
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575600
(4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2126269
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
1-(1-ethyl-2-phenylindol-3-yl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 2108508
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566578
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2470214
[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575628

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate (CID 4837818) is [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate is CCn1c(-c2ccccc2)c(C(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c2ccccc21.
What is the InChIKey of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is FRVKNKGQJUWILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-4-30-21-14-9-8-13-20(21)24(26(30)19-11-6-5-7-12-19)22(31)17-35-28(33)25(18(2)3)29-27(32)23-15-10-16-34-23/h5-16,18,25H,4,17H2,1-3H3,(H,29,32).
What are the key properties of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 472.54 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 4837818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).