2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid

C17H23NO4 — CID 83944711

IUPAC2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
SMILESCCCc1cn(CC(=O)O)c2cc(OCC)c(OCC)cc12
InChIInChI=1S/C17H23NO4/c1-4-7-12-10-18(11-17(19)20)14-9-16(22-6-3)15(21-5-2)8-13(12)14/h8-10H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyFRELYLRODQOTMB-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.48
Rot. Bonds8

About 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid

2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid (PubChem CID 83944711) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
PubChem CID83944711
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
SMILESCCCc1cn(CC(=O)O)c2cc(OCC)c(OCC)cc12
InChIInChI=1S/C17H23NO4/c1-4-7-12-10-18(11-17(19)20)14-9-16(22-6-3)15(21-5-2)8-13(12)14/h8-10H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyFRELYLRODQOTMB-UHFFFAOYSA-N
XLogP3.48
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
2-(5,6-diethoxy-3-formylindol-1-yl)acetic acid
CID 83947517
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
2-(5,6-diethoxyindol-1-yl)acetic acid
CID 83944709
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719
6-acetyloxy-7-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 12873148
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
CID 83944642
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid?
The IUPAC name of 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid (CID 83944711) is 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid?
The canonical SMILES for 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid is CCCc1cn(CC(=O)O)c2cc(OCC)c(OCC)cc12.
What is the InChIKey of 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid?
The InChIKey is FRELYLRODQOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-7-12-10-18(11-17(19)20)14-9-16(22-6-3)15(21-5-2)8-13(12)14/h8-10H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid?
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid has a molecular weight of 305.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid is sourced from PubChem (CID 83944711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).