N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide

C26H29N3O3 — CID 41179879

IUPACN-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H29N3O3/c30-23(29(20-12-3-1-4-13-20)21-14-5-2-6-15-21)18-28-24(31)26(27-25(28)32)17-9-11-19-10-7-8-16-22(19)26/h1,3-4,7-8,10,12-13,16,21H,2,5-6,9,11,14-15,17-18H2,(H,27,32)/t26-/m1/s1
InChIKeyJVIVOIPRBTWWHH-AREMUKBSSA-N
MW431.54 g/mol
LogP4.14
Rot. Bonds4

About N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide

N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide (PubChem CID 41179879) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
PubChem CID41179879
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H29N3O3/c30-23(29(20-12-3-1-4-13-20)21-14-5-2-6-15-21)18-28-24(31)26(27-25(28)32)17-9-11-19-10-7-8-16-22(19)26/h1,3-4,7-8,10,12-13,16,21H,2,5-6,9,11,14-15,17-18H2,(H,27,32)/t26-/m1/s1
InChIKeyJVIVOIPRBTWWHH-AREMUKBSSA-N
XLogP4.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 17390409
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41112293
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 17419101
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40843146
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 7266331
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
(4R)-3'-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 11925713
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7240537

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide (CID 41179879) is N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide is O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide?
The InChIKey is JVIVOIPRBTWWHH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-23(29(20-12-3-1-4-13-20)21-14-5-2-6-15-21)18-28-24(31)26(27-25(28)32)17-9-11-19-10-7-8-16-22(19)26/h1,3-4,7-8,10,12-13,16,21H,2,5-6,9,11,14-15,17-18H2,(H,27,32)/t26-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide?
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide has a molecular weight of 431.54 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide is sourced from PubChem (CID 41179879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).