[2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

C20H28N2O4 — CID 2391353

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)15-8-4-14(5-9-15)19(25)26-12-17(23)22-16-10-6-13(7-11-16)18(21)24/h6-7,10-11,14-15H,4-5,8-9,12H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyGCPAPLPKNCPXFM-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.12
Rot. Bonds5

About [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 2391353) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID2391353
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)15-8-4-14(5-9-15)19(25)26-12-17(23)22-16-10-6-13(7-11-16)18(21)24/h6-7,10-11,14-15H,4-5,8-9,12H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyGCPAPLPKNCPXFM-UHFFFAOYSA-N
XLogP3.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-p-Tolylcarbamoyl-butyric acid 1-methyl-2-oxo-2-phenyl-ethyl ester
CID 2901381
3-[4-[(4-~{Tert}-butylphenyl)carbonylamino]phenyl]propanoic acid
CID 17341936
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
[2-(4-Carbamoylanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3576629
[2-(4-Carbamoylanilino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate
CID 4211830
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 4795120
[2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717310
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] cyclohexanecarboxylate
CID 8220578

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 2391353) is [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is GCPAPLPKNCPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,3)15-8-4-14(5-9-15)19(25)26-12-17(23)22-16-10-6-13(7-11-16)18(21)24/h6-7,10-11,14-15H,4-5,8-9,12H2,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 2391353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).