sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate

C17H19N2NaO5 — CID 162470818

IUPACsodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2C(=O)CCC(=O)[O-].[Na+]
InChIInChI=1S/C17H20N2O5.Na/c1-11(20)18-8-7-12-10-19(16(21)5-6-17(22)23)15-4-3-13(24-2)9-14(12)15;/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1
InChIKeyKQHDIZUCJXYNOM-UHFFFAOYSA-M
MW354.34 g/mol
LogP-2.50
Rot. Bonds7

About sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate

sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate (PubChem CID 162470818) has the molecular formula C17H19N2NaO5 and a molecular weight of 354.34 g/mol. Its IUPAC name is sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namesodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
PubChem CID162470818
Molecular FormulaC17H19N2NaO5
Molecular Weight354.34 g/mol
Exact Mass354.12
IUPAC Namesodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2C(=O)CCC(=O)[O-].[Na+]
InChIInChI=1S/C17H20N2O5.Na/c1-11(20)18-8-7-12-10-19(16(21)5-6-17(22)23)15-4-3-13(24-2)9-14(12)15;/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1
InChIKeyKQHDIZUCJXYNOM-UHFFFAOYSA-M
XLogP-2.50
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 5-2.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
4-[3-(hydroxymethyl)-5-methoxyindol-1-yl]-4-oxobutanoic acid
CID 83971021
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 101098567
(4Z,7Z,10Z,13Z,16Z,19Z)-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
CID 166138565
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 22133314
N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
CID 101450267

Frequently Asked Questions

What is the IUPAC name of sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate?
The IUPAC name of sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate (CID 162470818) is sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate.
What is the SMILES notation for sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate?
The canonical SMILES for sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate is COc1ccc2c(c1)c(CCNC(C)=O)cn2C(=O)CCC(=O)[O-].[Na+].
What is the InChIKey of sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate?
The InChIKey is KQHDIZUCJXYNOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20N2O5.Na/c1-11(20)18-8-7-12-10-19(16(21)5-6-17(22)23)15-4-3-13(24-2)9-14(12)15;/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1.
What are the key properties of sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate?
sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate has a molecular weight of 354.34 g/mol, XLogP of -2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate is sourced from PubChem (CID 162470818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).