[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

C20H22N2O5 — CID 7890943

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H22N2O5/c23-17(22-20(26)21-14-7-2-1-3-8-14)12-27-19(25)16-11-10-13-6-4-5-9-15(13)18(16)24/h4-6,9-11,14,24H,1-3,7-8,12H2,(H2,21,22,23,26)
InChIKeyTYHIUGBIISYUOX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.86
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate (PubChem CID 7890943) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
PubChem CID7890943
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H22N2O5/c23-17(22-20(26)21-14-7-2-1-3-8-14)12-27-19(25)16-11-10-13-6-4-5-9-15(13)18(16)24/h4-6,9-11,14,24H,1-3,7-8,12H2,(H2,21,22,23,26)
InChIKeyTYHIUGBIISYUOX-UHFFFAOYSA-N
XLogP2.86
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596658
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3903369
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7722844
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916330
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983827
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789162

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate (CID 7890943) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1O)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is TYHIUGBIISYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-17(22-20(26)21-14-7-2-1-3-8-14)12-27-19(25)16-11-10-13-6-4-5-9-15(13)18(16)24/h4-6,9-11,14,24H,1-3,7-8,12H2,(H2,21,22,23,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7890943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).