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

C21H25NO4 — CID 18783007

IUPAC2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C21H25NO4/c23-20(24)14-26-18-10-9-15-7-4-8-16(19(15)13-18)11-12-22-21(25)17-5-2-1-3-6-17/h4,7-10,13,17H,1-3,5-6,11-12,14H2,(H,22,25)(H,23,24)
InChIKeyMPYXXQNFTODNBI-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.54
Rot. Bonds7

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

2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid (PubChem CID 18783007) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid
PubChem CID18783007
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C21H25NO4/c23-20(24)14-26-18-10-9-15-7-4-8-16(19(15)13-18)11-12-22-21(25)17-5-2-1-3-6-17/h4,7-10,13,17H,1-3,5-6,11-12,14H2,(H,22,25)(H,23,24)
InChIKeyMPYXXQNFTODNBI-UHFFFAOYSA-N
XLogP3.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783000
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062
2-[8-[2-(butanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783026
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 84580289
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 57250366
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid (CID 18783007) is 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid is O=C(O)COc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1.
What is the InChIKey of 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is MPYXXQNFTODNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-20(24)14-26-18-10-9-15-7-4-8-16(19(15)13-18)11-12-22-21(25)17-5-2-1-3-6-17/h4,7-10,13,17H,1-3,5-6,11-12,14H2,(H,22,25)(H,23,24).
What are the key properties of 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid?
2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 355.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(cyclohexanecarbonylamino)ethyl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 18783007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).