N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide

C23H27N3O6 — CID 46276936

IUPACN-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
SMILESCOc1cc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc(OC)c1
InChIInChI=1S/C23H27N3O6/c1-14(2)25-20(13-21(27)24-15-9-18(31-4)12-19(10-15)32-5)22(28)26(23(25)29)16-7-6-8-17(11-16)30-3/h6-12,14,20H,13H2,1-5H3,(H,24,27)
InChIKeyBIVBTLMPDZRBQJ-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.29
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide (PubChem CID 46276936) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
PubChem CID46276936
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
SMILESCOc1cc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc(OC)c1
InChIInChI=1S/C23H27N3O6/c1-14(2)25-20(13-21(27)24-15-9-18(31-4)12-19(10-15)32-5)22(28)26(23(25)29)16-7-6-8-17(11-16)30-3/h6-12,14,20H,13H2,1-5H3,(H,24,27)
InChIKeyBIVBTLMPDZRBQJ-UHFFFAOYSA-N
XLogP3.29
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 92742879
N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284978
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
CID 92666410
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276930
2-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]-N-phenylacetamide
CID 28851556
N-(4-ethylphenyl)-2-[(4S)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92742866
2-[(4S)-2,5-dioxo-1-phenyl-3-propan-2-ylimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 7340927
2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 17118472
2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4602426
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775848
ethyl 4-[[2-[(4R)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698486

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide (CID 46276936) is N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide is COc1cc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide?
The InChIKey is BIVBTLMPDZRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-14(2)25-20(13-21(27)24-15-9-18(31-4)12-19(10-15)32-5)22(28)26(23(25)29)16-7-6-8-17(11-16)30-3/h6-12,14,20H,13H2,1-5H3,(H,24,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 46276936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).