2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid

C19H18N2O4 — CID 71915489

IUPAC2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C19H18N2O4/c22-18(12-21-10-9-14-5-1-3-7-16(14)21)20-11-15-6-2-4-8-17(15)25-13-19(23)24/h1-10H,11-13H2,(H,20,22)(H,23,24)
InChIKeyMNVAISKIJHHYDX-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid

2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid (PubChem CID 71915489) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
PubChem CID71915489
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C19H18N2O4/c22-18(12-21-10-9-14-5-1-3-7-16(14)21)20-11-15-6-2-4-8-17(15)25-13-19(23)24/h1-10H,11-13H2,(H,20,22)(H,23,24)
InChIKeyMNVAISKIJHHYDX-UHFFFAOYSA-N
XLogP2.42
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 91630228
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290
1-indol-1-yl-3-phenoxypropan-2-one
CID 90966519

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid (CID 71915489) is 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is MNVAISKIJHHYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18(12-21-10-9-14-5-1-3-7-16(14)21)20-11-15-6-2-4-8-17(15)25-13-19(23)24/h1-10H,11-13H2,(H,20,22)(H,23,24).
What are the key properties of 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid?
2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-indol-1-ylacetyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 71915489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).