4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one

C16H21N3O2 — CID 115420968

IUPAC4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12CCC(C)c1ccccc12
InChIInChI=1S/C16H21N3O2/c1-11-7-8-16(13-6-4-3-5-12(11)13)14(17)18-15(20)19(16)9-10-21-2/h3-6,11H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyWUCSHTLLKKHWAD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds3

About 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one

4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one (PubChem CID 115420968) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
PubChem CID115420968
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12CCC(C)c1ccccc12
InChIInChI=1S/C16H21N3O2/c1-11-7-8-16(13-6-4-3-5-12(11)13)14(17)18-15(20)19(16)9-10-21-2/h3-6,11H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyWUCSHTLLKKHWAD-UHFFFAOYSA-N
XLogP2.22
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one with MolForge

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Related Compounds

4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 79968014
1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 115420948
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
CID 115420947
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
4'-amino-1'-methylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
CID 79961632

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one (CID 115420968) is 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one is COCCN1C(=O)N=C(N)C12CCC(C)c1ccccc12.
What is the InChIKey of 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
The InChIKey is WUCSHTLLKKHWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-8-16(13-6-4-3-5-12(11)13)14(17)18-15(20)19(16)9-10-21-2/h3-6,11H,7-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one has a molecular weight of 287.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one is sourced from PubChem (CID 115420968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).