2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide

C18H18N2O2 — CID 35769758

IUPAC2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(O)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-7-15(17(21)10-12)18(22)19-9-8-13-11-20-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,19,22)
InChIKeyIIXQVHOWQHXBKW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds4

About 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide

2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide (PubChem CID 35769758) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
PubChem CID35769758
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(O)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-7-15(17(21)10-12)18(22)19-9-8-13-11-20-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,19,22)
InChIKeyIIXQVHOWQHXBKW-UHFFFAOYSA-N
XLogP3.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide (CID 35769758) is 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
The InChIKey is IIXQVHOWQHXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-6-7-15(17(21)10-12)18(22)19-9-8-13-11-20-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide?
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 35769758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).