[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate

C19H23NO4 — CID 4103005

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO4/c21-16-4-2-1-3-15(16)18(23)24-11-17(22)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,21H,5-11H2,(H,20,22)
InChIKeyJEMZTHLTLNXYIM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.63
Rot. Bonds4

About [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate

[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 4103005) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID4103005
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO4/c21-16-4-2-1-3-15(16)18(23)24-11-17(22)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,21H,5-11H2,(H,20,22)
InChIKeyJEMZTHLTLNXYIM-UHFFFAOYSA-N
XLogP2.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-(2-Methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2369755
(2-Benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
2-[2-(1-Adamantylamino)-2-oxoethoxy]benzamide
CID 7278857
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 2350990
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2406897
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 3639382
[2-(1-Adamantylamino)-2-oxoethyl] 3-methoxybenzoate
CID 4301429
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoate
CID 4477477
[2-(1-Adamantylamino)-2-oxoethyl] benzoate
CID 4785151
2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate
CID 5113069

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 4103005) is [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is JEMZTHLTLNXYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-16-4-2-1-3-15(16)18(23)24-11-17(22)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,21H,5-11H2,(H,20,22).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 329.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 4103005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).