2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

C26H30N4O4 — CID 24551688

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C26H30N4O4/c1-28(17-20-8-3-5-11-22(20)29-13-15-34-16-14-29)23(31)18-30-24(32)26(27-25(30)33)12-6-9-19-7-2-4-10-21(19)26/h2-5,7-8,10-11H,6,9,12-18H2,1H3,(H,27,33)
InChIKeyHJKFFEYUBYATNR-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.27
Rot. Bonds5

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 24551688) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID24551688
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C26H30N4O4/c1-28(17-20-8-3-5-11-22(20)29-13-15-34-16-14-29)23(31)18-30-24(32)26(27-25(30)33)12-6-9-19-7-2-4-10-21(19)26/h2-5,7-8,10-11H,6,9,12-18H2,1H3,(H,27,33)
InChIKeyHJKFFEYUBYATNR-UHFFFAOYSA-N
XLogP2.27
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7240537
N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 24544416
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 2555447
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 41113711
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-ethylacetamide
CID 41094805
N-[(2-chloro-6-fluorophenyl)methyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 39881025
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 24547760
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
N-(3-amino-2,2-dimethylpropyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 119655063
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (CID 24551688) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is CN(Cc1ccccc1N1CCOCC1)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is HJKFFEYUBYATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-28(17-20-8-3-5-11-22(20)29-13-15-34-16-14-29)23(31)18-30-24(32)26(27-25(30)33)12-6-9-19-7-2-4-10-21(19)26/h2-5,7-8,10-11H,6,9,12-18H2,1H3,(H,27,33).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 462.55 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 24551688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).