N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide

C25H24N4O4 — CID 3165121

IUPACN-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C25H24N4O4/c1-17-5-9-20(10-6-17)29-24(31)22(28(25(29)32)16-18-4-3-13-26-15-18)14-23(30)27-19-7-11-21(33-2)12-8-19/h3-13,15,22H,14,16H2,1-2H3,(H,27,30)
InChIKeyGGXQRACLEHLKEV-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.76
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 3165121) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID3165121
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C25H24N4O4/c1-17-5-9-20(10-6-17)29-24(31)22(28(25(29)32)16-18-4-3-13-26-15-18)14-23(30)27-19-7-11-21(33-2)12-8-19/h3-13,15,22H,14,16H2,1-2H3,(H,27,30)
InChIKeyGGXQRACLEHLKEV-UHFFFAOYSA-N
XLogP3.76
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.76
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)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 27444104
N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001956
2-[(4S)-1-(4-chlorophenyl)-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 1272392
N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774827
ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 3900718
2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 92742885
ethyl 4-[[2-[(4R)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698500
2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001990
N-(4-ethylphenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774472
ethyl 3-[[2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 28698571

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide (CID 3165121) is N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
The InChIKey is GGXQRACLEHLKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-17-5-9-20(10-6-17)29-24(31)22(28(25(29)32)16-18-4-3-13-26-15-18)14-23(30)27-19-7-11-21(33-2)12-8-19/h3-13,15,22H,14,16H2,1-2H3,(H,27,30).
What are the key properties of N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 3165121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).