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

C18H21NO4 — CID 18783026

IUPAC2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
SMILESCCCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C18H21NO4/c1-2-4-17(20)19-10-9-14-6-3-5-13-7-8-15(11-16(13)14)23-12-18(21)22/h3,5-8,11H,2,4,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyCASNQNXMPKQKOH-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.76
Rot. Bonds8

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

2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid (PubChem CID 18783026) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
PubChem CID18783026
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
SMILESCCCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C18H21NO4/c1-2-4-17(20)19-10-9-14-6-3-5-13-7-8-15(11-16(13)14)23-12-18(21)22/h3,5-8,11H,2,4,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyCASNQNXMPKQKOH-UHFFFAOYSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783000
2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783007
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
2-(7-butoxynaphthalen-1-yl)acetic acid
CID 19085996
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
4-[7-[4-[8-[2-(but-3-enoylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-N-methylbutanamide
CID 18007980
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291
2-(7-pentoxynaphthalen-1-yl)acetic acid
CID 19086042

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid (CID 18783026) is 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid is CCCC(=O)NCCc1cccc2ccc(OCC(=O)O)cc12.
What is the InChIKey of 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is CASNQNXMPKQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-4-17(20)19-10-9-14-6-3-5-13-7-8-15(11-16(13)14)23-12-18(21)22/h3,5-8,11H,2,4,9-10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 18783026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).