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

C18H32N2O4 — CID 42971186

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2O4/c1-12(2)10-19-17(23)20-15(21)11-24-16(22)13-6-8-14(9-7-13)18(3,4)5/h12-14H,6-11H2,1-5H3,(H2,19,20,21,23)
InChIKeyLTEFLCJBAKKEGO-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.86
Rot. Bonds5

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

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 42971186) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID42971186
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2O4/c1-12(2)10-19-17(23)20-15(21)11-24-16(22)13-6-8-14(9-7-13)18(3,4)5/h12-14H,6-11H2,1-5H3,(H2,19,20,21,23)
InChIKeyLTEFLCJBAKKEGO-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate
CID 8519506
[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717570
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928812
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322796
N-(2-methylpropylcarbamoyl)cyclopropanecarboxamide
CID 110865956
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2369687
(4-tert-butylcyclohexanecarbonyl) 4-tert-butylcyclohexane-1-carboperoxoate
CID 101452695
[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 7794425
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 8708975
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2345841
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate
CID 40620132

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 42971186) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is CC(C)CNC(=O)NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is LTEFLCJBAKKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-12(2)10-19-17(23)20-15(21)11-24-16(22)13-6-8-14(9-7-13)18(3,4)5/h12-14H,6-11H2,1-5H3,(H2,19,20,21,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 42971186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).