4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide

C20H22N2O2 — CID 121179729

IUPAC4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-14-4-6-15(7-5-14)20(24)21-13-19(23)17-8-9-18-16(12-17)10-11-22(18)2/h4-12,19,23H,3,13H2,1-2H3,(H,21,24)
InChIKeyWUWQXCWFMJMGOL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.20
Rot. Bonds5

About 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide

4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide (PubChem CID 121179729) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
PubChem CID121179729
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-14-4-6-15(7-5-14)20(24)21-13-19(23)17-8-9-18-16(12-17)10-11-22(18)2/h4-12,19,23H,3,13H2,1-2H3,(H,21,24)
InChIKeyWUWQXCWFMJMGOL-UHFFFAOYSA-N
XLogP3.20
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 124760857
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The IUPAC name of 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide (CID 121179729) is 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide is CCc1ccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1.
What is the InChIKey of 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The InChIKey is WUWQXCWFMJMGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-14-4-6-15(7-5-14)20(24)21-13-19(23)17-8-9-18-16(12-17)10-11-22(18)2/h4-12,19,23H,3,13H2,1-2H3,(H,21,24).
What are the key properties of 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide is sourced from PubChem (CID 121179729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).