2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide

C26H23N5O2 — CID 90281276

IUPAC2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)NC(Cc1ccccc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C26H23N5O2/c32-21-11-12-23-22(15-21)19(16-27-23)14-26(33)29-24(13-18-7-3-1-4-8-18)25-17-28-30-31(25)20-9-5-2-6-10-20/h1-12,15-17,24,27,32H,13-14H2,(H,29,33)
InChIKeyOLEQHZOHYVJTSR-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.10
Rot. Bonds7

About 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide

2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide (PubChem CID 90281276) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide
PubChem CID90281276
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(O)cc12)NC(Cc1ccccc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C26H23N5O2/c32-21-11-12-23-22(15-21)19(16-27-23)14-26(33)29-24(13-18-7-3-1-4-8-18)25-17-28-30-31(25)20-9-5-2-6-10-20/h1-12,15-17,24,27,32H,13-14H2,(H,29,33)
InChIKeyOLEQHZOHYVJTSR-UHFFFAOYSA-N
XLogP4.10
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 90162381
(2S)-N-(3-chlorophenyl)-2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 163202275
N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 162668901
(2S)-2-[[2-(6-hydroxy-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 126961234
N-[1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 166790108
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 148787953
1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one
CID 158246256
N-[(1R)-2-(3,5-difluorophenyl)-1-[1-(4-methoxyphenyl)imidazol-2-yl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 90281346
(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54530999
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide (CID 90281276) is 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide is O=C(Cc1c[nH]c2ccc(O)cc12)NC(Cc1ccccc1)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide?
The InChIKey is OLEQHZOHYVJTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-21-11-12-23-22(15-21)19(16-27-23)14-26(33)29-24(13-18-7-3-1-4-8-18)25-17-28-30-31(25)20-9-5-2-6-10-20/h1-12,15-17,24,27,32H,13-14H2,(H,29,33).
What are the key properties of 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide?
2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 90281276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).