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

C19H23NO3 — CID 4785151

IUPAC[2-(1-adamantylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO3/c21-17(12-23-18(22)16-4-2-1-3-5-16)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H,20,21)
InChIKeyGTPLUATYWXXMKT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.93
Rot. Bonds4

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

[2-(1-adamantylamino)-2-oxoethyl] benzoate (PubChem CID 4785151) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] benzoate
PubChem CID4785151
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO3/c21-17(12-23-18(22)16-4-2-1-3-5-16)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H,20,21)
InChIKeyGTPLUATYWXXMKT-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 4103005
2-Oxo-1,2-diphenylethyl (cyclohexanecarbonyl)glycinate
CID 44143092
2-(Adamantan-1-ylamino)-2-oxoethyl 2-hydroxy-2-phenylacetate
CID 2997923
[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 4694019
N-(1-adamantyl)-7-phenylmethoxyheptanamide
CID 70694285
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] benzoate
CID 2365769
[2-(Cyclohexylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 3325928
[2-(1-Adamantylamino)-2-oxoethyl] 3-methoxybenzoate
CID 4301429
[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 5225981
[2-(Tert-butylamino)-2-oxo-1-phenylethyl] benzoate
CID 102255833
[2-(1-Adamantylamino)-2-oxoethyl] 3-phenylpropanoate
CID 3433290
[2-(1-Adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] benzoate (CID 4785151) is [2-(1-adamantylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] benzoate?
The InChIKey is GTPLUATYWXXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-17(12-23-18(22)16-4-2-1-3-5-16)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H,20,21).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] benzoate?
[2-(1-adamantylamino)-2-oxoethyl] benzoate has a molecular weight of 313.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 4785151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).