methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate

C20H32N2O3 — CID 66593077

IUPACmethyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate
SMILESCOC(=O)C(NC(=O)NC1C2CC3CC(C2)CC1C3)C1CCCCC1
InChIInChI=1S/C20H32N2O3/c1-25-19(23)18(14-5-3-2-4-6-14)22-20(24)21-17-15-8-12-7-13(10-15)11-16(17)9-12/h12-18H,2-11H2,1H3,(H2,21,22,24)
InChIKeyBVCQKZIUTHFGFE-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.23
Rot. Bonds4

About methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate

methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate (PubChem CID 66593077) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate.

Molecular Properties

Compound Namemethyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate
PubChem CID66593077
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Namemethyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate
SMILESCOC(=O)C(NC(=O)NC1C2CC3CC(C2)CC1C3)C1CCCCC1
InChIInChI=1S/C20H32N2O3/c1-25-19(23)18(14-5-3-2-4-6-14)22-20(24)21-17-15-8-12-7-13(10-15)11-16(17)9-12/h12-18H,2-11H2,1H3,(H2,21,22,24)
InChIKeyBVCQKZIUTHFGFE-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2-adamantylcarbamoylamino)-2-cyclopropylacetate
CID 66593173
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 2-(1-adamantyl)-2-(cyclohexylcarbamoylamino)acetate
CID 4628350
1-(2-adamantyl)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]urea
CID 112831635
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
CID 164806427
CID 164806427
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate?
The IUPAC name of methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate (CID 66593077) is methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate.
What is the SMILES notation for methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate?
The canonical SMILES for methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate is COC(=O)C(NC(=O)NC1C2CC3CC(C2)CC1C3)C1CCCCC1.
What is the InChIKey of methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate?
The InChIKey is BVCQKZIUTHFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-25-19(23)18(14-5-3-2-4-6-14)22-20(24)21-17-15-8-12-7-13(10-15)11-16(17)9-12/h12-18H,2-11H2,1H3,(H2,21,22,24).
What are the key properties of methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate?
methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate has a molecular weight of 348.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-adamantylcarbamoylamino)-2-cyclohexylacetate is sourced from PubChem (CID 66593077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).