2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid

C16H17NO4 — CID 15340628

IUPAC2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid
SMILESCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C16H17NO4/c1-11(18)17-8-7-13-4-2-3-12-5-6-14(9-15(12)13)21-10-16(19)20/h2-6,9H,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyQEOQAJJXRSYBCX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.98
Rot. Bonds6

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

2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid (PubChem CID 15340628) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid
PubChem CID15340628
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid
SMILESCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C16H17NO4/c1-11(18)17-8-7-13-4-2-3-12-5-6-14(9-15(12)13)21-10-16(19)20/h2-6,9H,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyQEOQAJJXRSYBCX-UHFFFAOYSA-N
XLogP1.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Agomelatine
CID 82148
Ritobegron
CID 9820882
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
N-cyclopropylcarbonyl-2-(7-methoxy-1-naphthyl)ethylamine
CID 164405
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
Cyclobutanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071658

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid (CID 15340628) is 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid is CC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12.
What is the InChIKey of 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid?
The InChIKey is QEOQAJJXRSYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11(18)17-8-7-13-4-2-3-12-5-6-14(9-15(12)13)21-10-16(19)20/h2-6,9H,7-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid?
2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 15340628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).