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

C25H24N4O4 — CID 3165119

IUPACN-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C25H24N4O4/c1-17-5-3-7-20(13-17)29-24(31)22(28(25(29)32)16-18-6-4-12-26-15-18)14-23(30)27-19-8-10-21(33-2)11-9-19/h3-13,15,22H,14,16H2,1-2H3,(H,27,30)
InChIKeyZTDSMJPBQBCLFJ-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.76
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 3165119) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID3165119
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C25H24N4O4/c1-17-5-3-7-20(13-17)29-24(31)22(28(25(29)32)16-18-6-4-12-26-15-18)14-23(30)27-19-8-10-21(33-2)11-9-19/h3-13,15,22H,14,16H2,1-2H3,(H,27,30)
InChIKeyZTDSMJPBQBCLFJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide (CID 3165119) is N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
The InChIKey is ZTDSMJPBQBCLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-17-5-3-7-20(13-17)29-24(31)22(28(25(29)32)16-18-6-4-12-26-15-18)14-23(30)27-19-8-10-21(33-2)11-9-19/h3-13,15,22H,14,16H2,1-2H3,(H,27,30).
What are the key properties of N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-(3-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-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 3165119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).