[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C16H24N2O4 — CID 3667781

IUPAC[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCNC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O4/c1-17-13(19)9-22-14(20)8-18-15(21)16-5-10-2-11(6-16)4-12(3-10)7-16/h10-12H,2-9H2,1H3,(H,17,19)(H,18,21)
InChIKeyWCULXKRKBSKAQR-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.61
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 3667781) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID3667781
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCNC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O4/c1-17-13(19)9-22-14(20)8-18-15(21)16-5-10-2-11(6-16)4-12(3-10)7-16/h10-12H,2-9H2,1H3,(H,17,19)(H,18,21)
InChIKeyWCULXKRKBSKAQR-UHFFFAOYSA-N
XLogP0.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 4553339
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 41259667
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
ethyl 2-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3968904
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190629
(4-methylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190613
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190589
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 3667781) is [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is CNC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is WCULXKRKBSKAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-17-13(19)9-22-14(20)8-18-15(21)16-5-10-2-11(6-16)4-12(3-10)7-16/h10-12H,2-9H2,1H3,(H,17,19)(H,18,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 308.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 3667781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).