methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate

C20H20N2O4 — CID 91817661

IUPACmethyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C20H20N2O4/c1-22-10-9-15-11-16(7-8-17(15)22)18(23)12-21-19(24)13-3-5-14(6-4-13)20(25)26-2/h3-11,18,23H,12H2,1-2H3,(H,21,24)
InChIKeyUEKWMQCOKQZZFS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds5

About methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate

methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate (PubChem CID 91817661) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
PubChem CID91817661
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C20H20N2O4/c1-22-10-9-15-11-16(7-8-17(15)22)18(23)12-21-19(24)13-3-5-14(6-4-13)20(25)26-2/h3-11,18,23H,12H2,1-2H3,(H,21,24)
InChIKeyUEKWMQCOKQZZFS-UHFFFAOYSA-N
XLogP2.43
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
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
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 124727390
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 methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate (CID 91817661) is methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1.
What is the InChIKey of methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate?
The InChIKey is UEKWMQCOKQZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22-10-9-15-11-16(7-8-17(15)22)18(23)12-21-19(24)13-3-5-14(6-4-13)20(25)26-2/h3-11,18,23H,12H2,1-2H3,(H,21,24).
What are the key properties of methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate?
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate is sourced from PubChem (CID 91817661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).