[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C17H22N2O5 — CID 2648611

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(O)c1
InChIInChI=1S/C17H22N2O5/c1-11-7-8-13(14(20)9-11)16(22)24-10-15(21)19-17(23)18-12-5-3-2-4-6-12/h7-9,12,20H,2-6,10H2,1H3,(H2,18,19,21,23)
InChIKeyHUBIRPFMKJHXNJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.02
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2648611) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2648611
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(O)c1
InChIInChI=1S/C17H22N2O5/c1-11-7-8-13(14(20)9-11)16(22)24-10-15(21)19-17(23)18-12-5-3-2-4-6-12/h7-9,12,20H,2-6,10H2,1H3,(H2,18,19,21,23)
InChIKeyHUBIRPFMKJHXNJ-UHFFFAOYSA-N
XLogP2.02
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567304
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536846
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 3939967
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
N-(cyclohexylcarbamoyl)-2-(2,4-dimethylphenoxy)acetamide
CID 7706804
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2451959
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2648611) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(O)c1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is HUBIRPFMKJHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11-7-8-13(14(20)9-11)16(22)24-10-15(21)19-17(23)18-12-5-3-2-4-6-12/h7-9,12,20H,2-6,10H2,1H3,(H2,18,19,21,23).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 334.37 g/mol, XLogP of 2.02, 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] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2648611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).