3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide

C18H18N2O4 — CID 84581717

IUPAC3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2cc(O)cc(O)c2)c2cc(O)ccc21
InChIInChI=1S/C18H18N2O4/c1-20-10-11(16-9-13(21)2-3-17(16)20)4-5-19-18(24)12-6-14(22)8-15(23)7-12/h2-3,6-10,21-23H,4-5H2,1H3,(H,19,24)
InChIKeySICSBXIXYHBGSN-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.27
Rot. Bonds4

About 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide

3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide (PubChem CID 84581717) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
PubChem CID84581717
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2cc(O)cc(O)c2)c2cc(O)ccc21
InChIInChI=1S/C18H18N2O4/c1-20-10-11(16-9-13(21)2-3-17(16)20)4-5-19-18(24)12-6-14(22)8-15(23)7-12/h2-3,6-10,21-23H,4-5H2,1H3,(H,19,24)
InChIKeySICSBXIXYHBGSN-UHFFFAOYSA-N
XLogP2.27
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide (CID 84581717) is 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide is Cn1cc(CCNC(=O)c2cc(O)cc(O)c2)c2cc(O)ccc21.
What is the InChIKey of 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
The InChIKey is SICSBXIXYHBGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-20-10-11(16-9-13(21)2-3-17(16)20)4-5-19-18(24)12-6-14(22)8-15(23)7-12/h2-3,6-10,21-23H,4-5H2,1H3,(H,19,24).
What are the key properties of 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide is sourced from PubChem (CID 84581717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).