1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

C24H36N2O2 — CID 110186176

IUPAC1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
SMILESCCN(CC)CCNC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C24H36N2O2/c1-3-26(4-2)11-10-25-22(21-8-6-5-7-9-21)23(27)28-24-15-18-12-19(16-24)14-20(13-18)17-24/h5-9,18-20,22,25H,3-4,10-17H2,1-2H3
InChIKeyFKBLGRFOPBBHOU-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.17
Rot. Bonds9

About 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate (PubChem CID 110186176) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Name1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
PubChem CID110186176
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
SMILESCCN(CC)CCNC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C24H36N2O2/c1-3-26(4-2)11-10-25-22(21-8-6-5-7-9-21)23(27)28-24-15-18-12-19(16-24)14-20(13-18)17-24/h5-9,18-20,22,25H,3-4,10-17H2,1-2H3
InChIKeyFKBLGRFOPBBHOU-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 51590030
2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110185926
N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969
decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110186212
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
CID 110185768
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The IUPAC name of 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate (CID 110186176) is 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.
What is the SMILES notation for 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The canonical SMILES for 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate is CCN(CC)CCNC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The InChIKey is FKBLGRFOPBBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-26(4-2)11-10-25-22(21-8-6-5-7-9-21)23(27)28-24-15-18-12-19(16-24)14-20(13-18)17-24/h5-9,18-20,22,25H,3-4,10-17H2,1-2H3.
What are the key properties of 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate has a molecular weight of 384.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate is sourced from PubChem (CID 110186176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).