5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid

C17H16N2O4 — CID 167925600

IUPAC5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
SMILESCc1cccc2c(CCNC(=O)c3ccc(C(=O)O)o3)c[nH]c12
InChIInChI=1S/C17H16N2O4/c1-10-3-2-4-12-11(9-19-15(10)12)7-8-18-16(20)13-5-6-14(23-13)17(21)22/h2-6,9,19H,7-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyQTTXNFLOCXFTKL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.74
Rot. Bonds5

About 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid

5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid (PubChem CID 167925600) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
PubChem CID167925600
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
SMILESCc1cccc2c(CCNC(=O)c3ccc(C(=O)O)o3)c[nH]c12
InChIInChI=1S/C17H16N2O4/c1-10-3-2-4-12-11(9-19-15(10)12)7-8-18-16(20)13-5-6-14(23-13)17(21)22/h2-6,9,19H,7-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyQTTXNFLOCXFTKL-UHFFFAOYSA-N
XLogP2.74
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685
2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240615
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389

Frequently Asked Questions

What is the IUPAC name of 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid (CID 167925600) is 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid is Cc1cccc2c(CCNC(=O)c3ccc(C(=O)O)o3)c[nH]c12.
What is the InChIKey of 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is QTTXNFLOCXFTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-3-2-4-12-11(9-19-15(10)12)7-8-18-16(20)13-5-6-14(23-13)17(21)22/h2-6,9,19H,7-8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid?
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 167925600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).