N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide

C21H24N2O5 — CID 90535108

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)c2cn(C)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-23-12-15(14-7-5-6-8-16(14)23)17(24)11-22-21(25)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-10,12,17,24H,11H2,1-4H3,(H,22,25)
InChIKeyUZJFLVDDMVFISN-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.67
Rot. Bonds7

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 90535108) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID90535108
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)c2cn(C)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-23-12-15(14-7-5-6-8-16(14)23)17(24)11-22-21(25)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-10,12,17,24H,11H2,1-4H3,(H,22,25)
InChIKeyUZJFLVDDMVFISN-UHFFFAOYSA-N
XLogP2.67
TPSA81.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535330
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71788669
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414037

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide (CID 90535108) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(O)c2cn(C)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is UZJFLVDDMVFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-23-12-15(14-7-5-6-8-16(14)23)17(24)11-22-21(25)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-10,12,17,24H,11H2,1-4H3,(H,22,25).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 384.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 90535108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).