[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate

C18H28N2O4 — CID 8519506

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O4/c1-10(2)8-19-18(23)20-15(21)9-24-17(22)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-14,16H,3-9H2,1-2H3,(H2,19,20,21,23)
InChIKeyFFOQEVJPINRHJV-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.08
Rot. Bonds5

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate (PubChem CID 8519506) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate
PubChem CID8519506
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O4/c1-10(2)8-19-18(23)20-15(21)9-24-17(22)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-14,16H,3-9H2,1-2H3,(H2,19,20,21,23)
InChIKeyFFOQEVJPINRHJV-UHFFFAOYSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 42971186
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7833164
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] adamantane-2-carboxylate
CID 8519879
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 7447991
[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate
CID 8518445
[2-oxo-2-(2-propan-2-ylanilino)ethyl] adamantane-2-carboxylate
CID 8518436
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] adamantane-2-carboxylate
CID 8518380
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] adamantane-2-carboxylate
CID 8519367
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] adamantane-2-carboxylate
CID 8519422
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] adamantane-2-carboxylate
CID 11929135
2-(2-adamantylamino)-N-(2-methylpropyl)acetamide
CID 115574907
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (3R,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 7822864

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate (CID 8519506) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate is CC(C)CNC(=O)NC(=O)COC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate?
The InChIKey is FFOQEVJPINRHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-10(2)8-19-18(23)20-15(21)9-24-17(22)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-14,16H,3-9H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate has a molecular weight of 336.43 g/mol, XLogP of 2.08, 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] adamantane-2-carboxylate is sourced from PubChem (CID 8519506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).