2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid

C22H24N2O4 — CID 119255787

IUPAC2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESCCc1cccc2c(CC(=O)NCCc3ccc(OCC(=O)O)cc3)c[nH]c12
InChIInChI=1S/C22H24N2O4/c1-2-16-4-3-5-19-17(13-24-22(16)19)12-20(25)23-11-10-15-6-8-18(9-7-15)28-14-21(26)27/h3-9,13,24H,2,10-12,14H2,1H3,(H,23,25)(H,26,27)
InChIKeyUPQYZKWGWMEAHM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.10
Rot. Bonds9

About 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119255787) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119255787
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESCCc1cccc2c(CC(=O)NCCc3ccc(OCC(=O)O)cc3)c[nH]c12
InChIInChI=1S/C22H24N2O4/c1-2-16-4-3-5-19-17(13-24-22(16)19)12-20(25)23-11-10-15-6-8-18(9-7-15)28-14-21(26)27/h3-9,13,24H,2,10-12,14H2,1H3,(H,23,25)(H,26,27)
InChIKeyUPQYZKWGWMEAHM-UHFFFAOYSA-N
XLogP3.10
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113100092
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-[[2-(methoxymethyl)benzoyl]amino]ethyl]phenoxy]acetic acid
CID 119255595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid (CID 119255787) is 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid is CCc1cccc2c(CC(=O)NCCc3ccc(OCC(=O)O)cc3)c[nH]c12.
What is the InChIKey of 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is UPQYZKWGWMEAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-16-4-3-5-19-17(13-24-22(16)19)12-20(25)23-11-10-15-6-8-18(9-7-15)28-14-21(26)27/h3-9,13,24H,2,10-12,14H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 380.44 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).