[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate

C18H26N2O4 — CID 7695467

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate
SMILESC=CCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O4/c1-2-3-19-17(23)20-15(21)11-24-16(22)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2,12-14H,1,3-11H2,(H2,19,20,21,23)
InChIKeyVAOIMGHKJULGOI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.15
Rot. Bonds6

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate (PubChem CID 7695467) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate
PubChem CID7695467
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate
SMILESC=CCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2O4/c1-2-3-19-17(23)20-15(21)11-24-16(22)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2,12-14H,1,3-11H2,(H2,19,20,21,23)
InChIKeyVAOIMGHKJULGOI-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate (CID 7695467) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate is C=CCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate?
The InChIKey is VAOIMGHKJULGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-3-19-17(23)20-15(21)11-24-16(22)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2,12-14H,1,3-11H2,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate has a molecular weight of 334.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 7695467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).