ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate

C21H28N2O4 — CID 11624930

IUPACethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O4/c1-2-26-19(24)13-27-18-5-3-17(4-6-18)22-20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H2,22,23,25)
InChIKeyLDHMAMXEOOMWFG-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.72
Rot. Bonds6

About ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate

ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate (PubChem CID 11624930) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate
PubChem CID11624930
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Nameethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O4/c1-2-26-19(24)13-27-18-5-3-17(4-6-18)22-20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H2,22,23,25)
InChIKeyLDHMAMXEOOMWFG-UHFFFAOYSA-N
XLogP3.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]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 ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate (CID 11624930) is ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate?
The InChIKey is LDHMAMXEOOMWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-2-26-19(24)13-27-18-5-3-17(4-6-18)22-20(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H2,22,23,25).
What are the key properties of ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate?
ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate has a molecular weight of 372.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate is sourced from PubChem (CID 11624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).