2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid

C22H21NO4 — CID 42933234

IUPAC2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
SMILESCC(NC(=O)COc1ccc(CC(=O)O)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO4/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23-21(24)14-27-18-11-9-16(10-12-18)13-22(25)26/h2-12,15H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyFXKMUFZQLVCNRU-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.72
Rot. Bonds7

About 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid

2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid (PubChem CID 42933234) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
PubChem CID42933234
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
SMILESCC(NC(=O)COc1ccc(CC(=O)O)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO4/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23-21(24)14-27-18-11-9-16(10-12-18)13-22(25)26/h2-12,15H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyFXKMUFZQLVCNRU-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359
2-(2-hydroxyphenoxy)-N-(1-naphthalen-1-ylethyl)acetamide
CID 78777927
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 31108342
N-(1-naphthalen-1-ylethyl)-2-thiophen-3-ylacetamide
CID 51151768
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethoxy]phenyl]acetic acid
CID 43214810
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid (CID 42933234) is 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid is CC(NC(=O)COc1ccc(CC(=O)O)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid?
The InChIKey is FXKMUFZQLVCNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)23-21(24)14-27-18-11-9-16(10-12-18)13-22(25)26/h2-12,15H,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid?
2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid is sourced from PubChem (CID 42933234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).