2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid

C17H19NO4 — CID 18783000

IUPAC2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
SMILESCCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C17H19NO4/c1-2-16(19)18-9-8-13-5-3-4-12-6-7-14(10-15(12)13)22-11-17(20)21/h3-7,10H,2,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyAIOKMPWZIUOFBM-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.37
Rot. Bonds7

About 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid

2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid (PubChem CID 18783000) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
PubChem CID18783000
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
SMILESCCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C17H19NO4/c1-2-16(19)18-9-8-13-5-3-4-12-6-7-14(10-15(12)13)22-11-17(20)21/h3-7,10H,2,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyAIOKMPWZIUOFBM-UHFFFAOYSA-N
XLogP2.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783026
2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783007
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291
2-(7-butoxynaphthalen-1-yl)acetic acid
CID 19085996
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
4-[7-[4-[8-[2-(but-3-enoylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-N-methylbutanamide
CID 18007980
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid (CID 18783000) is 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid is CCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12.
What is the InChIKey of 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is AIOKMPWZIUOFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-2-16(19)18-9-8-13-5-3-4-12-6-7-14(10-15(12)13)22-11-17(20)21/h3-7,10H,2,8-9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 301.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 18783000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).