N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide

C17H23N3O3 — CID 70229908

IUPACN-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide
SMILESCCN(C(=O)COC)c1ccc2c(c1)CC1(CC2)COC(N)=N1
InChIInChI=1S/C17H23N3O3/c1-3-20(15(21)10-22-2)14-5-4-12-6-7-17(9-13(12)8-14)11-23-16(18)19-17/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,18,19)
InChIKeyABBWJAQBSQUHDI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.26
Rot. Bonds4

About N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide

N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide (PubChem CID 70229908) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide
PubChem CID70229908
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide
SMILESCCN(C(=O)COC)c1ccc2c(c1)CC1(CC2)COC(N)=N1
InChIInChI=1S/C17H23N3O3/c1-3-20(15(21)10-22-2)14-5-4-12-6-7-17(9-13(12)8-14)11-23-16(18)19-17/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,18,19)
InChIKeyABBWJAQBSQUHDI-UHFFFAOYSA-N
XLogP1.26
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
CID 70230307
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-N-ethyl-1-methylsulfonylformamide
CID 91294112
(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467273
N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide
CID 74427165
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
3-amino-4-[ethyl-(2-methoxyacetyl)amino]benzoic acid
CID 63118979
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
3-amino-N-(1,3-benzodioxol-5-yl)-N-ethylpropanamide
CID 28795490
3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide
CID 64891799

Frequently Asked Questions

What is the IUPAC name of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide?
The IUPAC name of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide (CID 70229908) is N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide.
What is the SMILES notation for N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide?
The canonical SMILES for N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide is CCN(C(=O)COC)c1ccc2c(c1)CC1(CC2)COC(N)=N1.
What is the InChIKey of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide?
The InChIKey is ABBWJAQBSQUHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-20(15(21)10-22-2)14-5-4-12-6-7-17(9-13(12)8-14)11-23-16(18)19-17/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,18,19).
What are the key properties of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide?
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide is sourced from PubChem (CID 70229908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).