2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid

C19H19NO4 — CID 4877005

IUPAC2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
SMILESO=C(COc1ccccc1C(=O)O)NC1CCCc2ccccc21
InChIInChI=1S/C19H19NO4/c21-18(12-24-17-11-4-3-9-15(17)19(22)23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16H,5,7,10,12H2,(H,20,21)(H,22,23)
InChIKeyUGSWVZSMXDEPPC-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.96
Rot. Bonds5

About 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid

2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid (PubChem CID 4877005) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
PubChem CID4877005
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
SMILESO=C(COc1ccccc1C(=O)O)NC1CCCc2ccccc21
InChIInChI=1S/C19H19NO4/c21-18(12-24-17-11-4-3-9-15(17)19(22)23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16H,5,7,10,12H2,(H,20,21)(H,22,23)
InChIKeyUGSWVZSMXDEPPC-UHFFFAOYSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
CID 44968179
5-Fluoro-2-hydroxy-N-((R)-1-methyl-2-phenoxy-ethyl)-benzamide
CID 44288668
2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide;oxalic acid
CID 44295587
[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
[2-(Cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2417959
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
[2-Oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 4086904
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306
N-[(2-methoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 4882049
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 5106311

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid?
The IUPAC name of 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid (CID 4877005) is 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid is O=C(COc1ccccc1C(=O)O)NC1CCCc2ccccc21.
What is the InChIKey of 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid?
The InChIKey is UGSWVZSMXDEPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(12-24-17-11-4-3-9-15(17)19(22)23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16H,5,7,10,12H2,(H,20,21)(H,22,23).
What are the key properties of 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid?
2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid is sourced from PubChem (CID 4877005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).