N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide

C19H20N2O3 — CID 121179738

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C19H20N2O3/c1-21-9-8-13-10-14(6-7-17(13)21)18(22)12-20-19(23)15-4-3-5-16(11-15)24-2/h3-11,18,22H,12H2,1-2H3,(H,20,23)
InChIKeyJCBQUBDAUMIWCF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.65
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide (PubChem CID 121179738) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
PubChem CID121179738
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C19H20N2O3/c1-21-9-8-13-10-14(6-7-17(13)21)18(22)12-20-19(23)15-4-3-5-16(11-15)24-2/h3-11,18,22H,12H2,1-2H3,(H,20,23)
InChIKeyJCBQUBDAUMIWCF-UHFFFAOYSA-N
XLogP2.65
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 124727390
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide (CID 121179738) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide?
The InChIKey is JCBQUBDAUMIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21-9-8-13-10-14(6-7-17(13)21)18(22)12-20-19(23)15-4-3-5-16(11-15)24-2/h3-11,18,22H,12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 121179738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).