2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide

C26H24N2O3 — CID 118723545

IUPAC2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O3/c1-17(19-8-5-9-20(14-19)25(30)18-6-3-2-4-7-18)26(31)27-13-12-21-16-28-24-11-10-22(29)15-23(21)24/h2-11,14-17,28-29H,12-13H2,1H3,(H,27,31)
InChIKeyHMKYXELNLAZYII-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.57
Rot. Bonds7

About 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide

2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 118723545) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID118723545
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O3/c1-17(19-8-5-9-20(14-19)25(30)18-6-3-2-4-7-18)26(31)27-13-12-21-16-28-24-11-10-22(29)15-23(21)24/h2-11,14-17,28-29H,12-13H2,1H3,(H,27,31)
InChIKeyHMKYXELNLAZYII-UHFFFAOYSA-N
XLogP4.57
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide (CID 118723545) is 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide is CC(C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is HMKYXELNLAZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17(19-8-5-9-20(14-19)25(30)18-6-3-2-4-7-18)26(31)27-13-12-21-16-28-24-11-10-22(29)15-23(21)24/h2-11,14-17,28-29H,12-13H2,1H3,(H,27,31).
What are the key properties of 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide?
2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 118723545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).