4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C18H18N2O2 — CID 90680538

IUPAC4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-12-15-4-2-3-5-17(15)20(13)11-10-19-18(22)14-6-8-16(21)9-7-14/h2-9,12,21H,10-11H2,1H3,(H,19,22)
InChIKeyYOAAZBOUOCUZKJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.09
Rot. Bonds4

About 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 90680538) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID90680538
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-12-15-4-2-3-5-17(15)20(13)11-10-19-18(22)14-6-8-16(21)9-7-14/h2-9,12,21H,10-11H2,1H3,(H,19,22)
InChIKeyYOAAZBOUOCUZKJ-UHFFFAOYSA-N
XLogP3.09
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 90680538) is 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is YOAAZBOUOCUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-12-15-4-2-3-5-17(15)20(13)11-10-19-18(22)14-6-8-16(21)9-7-14/h2-9,12,21H,10-11H2,1H3,(H,19,22).
What are the key properties of 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90680538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).