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

C21H24N2O5 — CID 97414057

IUPACN-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-23-12-15(13-7-5-6-8-16(13)23)17(24)11-22-21(25)14-9-10-18(26-2)20(28-4)19(14)27-3/h5-10,12,17,24H,11H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyRRHOLUPWRQPQND-QGZVFWFLSA-N
MW384.43 g/mol
LogP2.67
Rot. Bonds7

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

N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide (PubChem CID 97414057) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
PubChem CID97414057
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-23-12-15(13-7-5-6-8-16(13)23)17(24)11-22-21(25)14-9-10-18(26-2)20(28-4)19(14)27-3/h5-10,12,17,24H,11H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyRRHOLUPWRQPQND-QGZVFWFLSA-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

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
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]naphthalene-2-carboxamide
CID 90535044
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414037
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90535181

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide (CID 97414057) is N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c(OC)c1OC.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide?
The InChIKey is RRHOLUPWRQPQND-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-23-12-15(13-7-5-6-8-16(13)23)17(24)11-22-21(25)14-9-10-18(26-2)20(28-4)19(14)27-3/h5-10,12,17,24H,11H2,1-4H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide?
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-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-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 97414057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).