[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate

C24H27NO3 — CID 7695749

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESO=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H27NO3/c26-22(25-21-6-5-19-3-1-2-4-20(19)10-21)15-28-23(27)14-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18H,7-9,11-15H2,(H,25,26)
InChIKeyLKPBUNCNBDLHIK-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.93
Rot. Bonds5

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate (PubChem CID 7695749) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
PubChem CID7695749
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESO=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H27NO3/c26-22(25-21-6-5-19-3-1-2-4-20(19)10-21)15-28-23(27)14-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18H,7-9,11-15H2,(H,25,26)
InChIKeyLKPBUNCNBDLHIK-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 23307090
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126954
butyl 4-[[2-[2-(1-adamantyl)acetyl]oxyacetyl]amino]benzoate
CID 7695320
[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate
CID 23764260
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2098588
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate (CID 7695749) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate is O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The InChIKey is LKPBUNCNBDLHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-22(25-21-6-5-19-3-1-2-4-20(19)10-21)15-28-23(27)14-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18H,7-9,11-15H2,(H,25,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate has a molecular weight of 377.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 7695749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).