[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate

C15H22N2O4 — CID 4310551

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O4/c1-16-14(20)17-12(18)8-21-13(19)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-8H2,1H3,(H2,16,17,18,20)
InChIKeyWPTYSTCHYMNOGR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.20
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 4310551) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID4310551
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O4/c1-16-14(20)17-12(18)8-21-13(19)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-8H2,1H3,(H2,16,17,18,20)
InChIKeyWPTYSTCHYMNOGR-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
[2-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964
[2-(methylamino)-2-oxoethyl] (5R,7R)-3-bromoadamantane-1-carboxylate
CID 98306479
[2-(ethylcarbamoylamino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CID 23350592
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514400
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 2406578
[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 21268393
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7833164
[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039897

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate (CID 4310551) is [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate is CNC(=O)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is WPTYSTCHYMNOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16-14(20)17-12(18)8-21-13(19)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-8H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 4310551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).