2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C25H28N4O4 — CID 41190568

IUPAC2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C25H28N4O4/c1-25(19-6-5-17-3-2-4-18(17)15-19)23(31)29(24(32)27-25)16-22(30)26-20-7-9-21(10-8-20)28-11-13-33-14-12-28/h5-10,15H,2-4,11-14,16H2,1H3,(H,26,30)(H,27,32)/t25-/m1/s1
InChIKeyDXPZRWUDJYWFPS-RUZDIDTESA-N
MW448.52 g/mol
LogP2.42
Rot. Bonds5

About 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 41190568) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID41190568
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C25H28N4O4/c1-25(19-6-5-17-3-2-4-18(17)15-19)23(31)29(24(32)27-25)16-22(30)26-20-7-9-21(10-8-20)28-11-13-33-14-12-28/h5-10,15H,2-4,11-14,16H2,1H3,(H,26,30)(H,27,32)/t25-/m1/s1
InChIKeyDXPZRWUDJYWFPS-RUZDIDTESA-N
XLogP2.42
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17402833
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884350
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884348
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 92786660
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42897977
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42918889
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 41155651
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42989218
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7988380
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17394782

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 41190568) is 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DXPZRWUDJYWFPS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O4/c1-25(19-6-5-17-3-2-4-18(17)15-19)23(31)29(24(32)27-25)16-22(30)26-20-7-9-21(10-8-20)28-11-13-33-14-12-28/h5-10,15H,2-4,11-14,16H2,1H3,(H,26,30)(H,27,32)/t25-/m1/s1.
What are the key properties of 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 41190568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).