N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide

C25H25N5O4 — CID 55446432

IUPACN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CNC(c3ccccc3)c3ccccn3)C2=O)cc1
InChIInChI=1S/C25H25N5O4/c1-25(18-11-13-19(34-2)14-12-18)23(32)30(24(33)28-25)29-21(31)16-27-22(17-8-4-3-5-9-17)20-10-6-7-15-26-20/h3-15,22,27H,16H2,1-2H3,(H,28,33)(H,29,31)
InChIKeyJINRTEUREGNIMR-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.27
Rot. Bonds8

About N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide (PubChem CID 55446432) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
PubChem CID55446432
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CNC(c3ccccc3)c3ccccn3)C2=O)cc1
InChIInChI=1S/C25H25N5O4/c1-25(18-11-13-19(34-2)14-12-18)23(32)30(24(33)28-25)29-21(31)16-27-22(17-8-4-3-5-9-17)20-10-6-7-15-26-20/h3-15,22,27H,16H2,1-2H3,(H,28,33)(H,29,31)
InChIKeyJINRTEUREGNIMR-UHFFFAOYSA-N
XLogP2.27
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 25351275
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8793202
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42885091
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598410
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598407
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43004534
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide (CID 55446432) is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide is COc1ccc(C2(C)NC(=O)N(NC(=O)CNC(c3ccccc3)c3ccccn3)C2=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The InChIKey is JINRTEUREGNIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-25(18-11-13-19(34-2)14-12-18)23(32)30(24(33)28-25)29-21(31)16-27-22(17-8-4-3-5-9-17)20-10-6-7-15-26-20/h3-15,22,27H,16H2,1-2H3,(H,28,33)(H,29,31).
What are the key properties of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide has a molecular weight of 459.51 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 55446432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).