ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate

C20H20N2O4 — CID 29127327

IUPACethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1
InChIInChI=1S/C20H20N2O4/c1-3-26-20(24)14-4-6-16(7-5-14)21-19(23)13-22-11-10-15-12-17(25-2)8-9-18(15)22/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyGUCBIQVNAVKOGS-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.47
Rot. Bonds6

About ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate (PubChem CID 29127327) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
PubChem CID29127327
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1
InChIInChI=1S/C20H20N2O4/c1-3-26-20(24)14-4-6-16(7-5-14)21-19(23)13-22-11-10-15-12-17(25-2)8-9-18(15)22/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyGUCBIQVNAVKOGS-UHFFFAOYSA-N
XLogP3.47
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100741952
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
butyl 4-[(2-indol-1-ylacetyl)amino]benzoate
CID 4606579
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 110830896
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate (CID 29127327) is ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1.
What is the InChIKey of ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
The InChIKey is GUCBIQVNAVKOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-26-20(24)14-4-6-16(7-5-14)21-19(23)13-22-11-10-15-12-17(25-2)8-9-18(15)22/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 29127327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).