3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide

C18H18N2O2 — CID 110024564

IUPAC3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(22,14-5-3-2-4-6-14)12-17(21)20-15-7-8-16-13(11-15)9-10-19-16/h2-11,19,22H,12H2,1H3,(H,20,21)
InChIKeyQGQUPXCZRMVDKP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.40
Rot. Bonds4

About 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide

3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide (PubChem CID 110024564) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
PubChem CID110024564
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(22,14-5-3-2-4-6-14)12-17(21)20-15-7-8-16-13(11-15)9-10-19-16/h2-11,19,22H,12H2,1H3,(H,20,21)
InChIKeyQGQUPXCZRMVDKP-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
CID 82538440
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
CID 175488495
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110026377
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide (CID 110024564) is 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide is CC(O)(CC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide?
The InChIKey is QGQUPXCZRMVDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(22,14-5-3-2-4-6-14)12-17(21)20-15-7-8-16-13(11-15)9-10-19-16/h2-11,19,22H,12H2,1H3,(H,20,21).
What are the key properties of 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide?
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide has a molecular weight of 294.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide is sourced from PubChem (CID 110024564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).