ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate

C28H28N2O5 — CID 177253310

IUPACethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)c1c(C)c2cc(OC)ccc2n1-c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C28H28N2O5/c1-5-35-27(32)28(3,33)25-18(2)21-17-20(34-4)15-16-23(21)30(25)24-14-10-9-13-22(24)29-26(31)19-11-7-6-8-12-19/h6-17,33H,5H2,1-4H3,(H,29,31)
InChIKeyCEZDGRHCAURYLY-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.97
Rot. Bonds7

About ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate

ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate (PubChem CID 177253310) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate
PubChem CID177253310
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Nameethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)c1c(C)c2cc(OC)ccc2n1-c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C28H28N2O5/c1-5-35-27(32)28(3,33)25-18(2)21-17-20(34-4)15-16-23(21)30(25)24-14-10-9-13-22(24)29-26(31)19-11-7-6-8-12-19/h6-17,33H,5H2,1-4H3,(H,29,31)
InChIKeyCEZDGRHCAURYLY-UHFFFAOYSA-N
XLogP4.97
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanedioate
CID 177253321
diethyl 2-[1-(2-benzamidophenyl)-3-phenylindol-2-yl]-2-hydroxypropanedioate
CID 177253351
N-[2-(5-methoxy-1-methylindol-3-yl)phenyl]benzamide
CID 177253303
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
N-(1-chloro-6-methoxyisoquinolin-4-yl)benzamide
CID 86717709
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 4025593
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
ethyl 2-(5-ethoxy-3-formylindol-1-yl)-2-methylpropanoate
CID 110832186
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate?
The IUPAC name of ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate (CID 177253310) is ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate.
What is the SMILES notation for ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate?
The canonical SMILES for ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate is CCOC(=O)C(C)(O)c1c(C)c2cc(OC)ccc2n1-c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate?
The InChIKey is CEZDGRHCAURYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-5-35-27(32)28(3,33)25-18(2)21-17-20(34-4)15-16-23(21)30(25)24-14-10-9-13-22(24)29-26(31)19-11-7-6-8-12-19/h6-17,33H,5H2,1-4H3,(H,29,31).
What are the key properties of ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate?
ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate has a molecular weight of 472.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-benzamidophenyl)-5-methoxy-3-methylindol-2-yl]-2-hydroxypropanoate is sourced from PubChem (CID 177253310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).