[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C20H23NO4 — CID 2369696

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cc2ccccc2cc1O)C1CCCCC1
InChIInChI=1S/C20H23NO4/c1-21(16-9-3-2-4-10-16)19(23)13-25-20(24)17-11-14-7-5-6-8-15(14)12-18(17)22/h5-8,11-12,16,22H,2-4,9-10,13H2,1H3
InChIKeyFGKRWHLGBZUOAS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.49
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2369696) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2369696
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cc2ccccc2cc1O)C1CCCCC1
InChIInChI=1S/C20H23NO4/c1-21(16-9-3-2-4-10-16)19(23)13-25-20(24)17-11-14-7-5-6-8-15(14)12-18(17)22/h5-8,11-12,16,22H,2-4,9-10,13H2,1H3
InChIKeyFGKRWHLGBZUOAS-UHFFFAOYSA-N
XLogP3.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bephenium Hydroxynaphthoate
CID 54678490
2-[(4-{[2-(Dimethylamino)-3-(4-hydroxyphenyl)propoxy]carbonyl}-2,6-dihydroxyphenyl)carbonyl]-3-hydroxybenzoic acid
CID 5327951
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2362720
[2-(Cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2417959
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2469980
(2-Morpholin-4-yl-2-oxoethyl) 1-hydroxynaphthalene-2-carboxylate
CID 2558920
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 4882544
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 10671378
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897
3-Methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2347973
(2-Oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2388572

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2369696) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CN(C(=O)COC(=O)c1cc2ccccc2cc1O)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is FGKRWHLGBZUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-21(16-9-3-2-4-10-16)19(23)13-25-20(24)17-11-14-7-5-6-8-15(14)12-18(17)22/h5-8,11-12,16,22H,2-4,9-10,13H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2369696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).