N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide

C23H25N3O6 — CID 92742879

IUPACN-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H25N3O6/c1-5-9-25-20(14-21(27)24-15-10-18(31-3)13-19(11-15)32-4)22(28)26(23(25)29)16-7-6-8-17(12-16)30-2/h5-8,10-13,20H,1,9,14H2,2-4H3,(H,24,27)/t20-/m0/s1
InChIKeyPHBVYGRILYEEBC-FQEVSTJZSA-N
MW439.47 g/mol
LogP3.06
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (PubChem CID 92742879) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
PubChem CID92742879
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H25N3O6/c1-5-9-25-20(14-21(27)24-15-10-18(31-3)13-19(11-15)32-4)22(28)26(23(25)29)16-7-6-8-17(12-16)30-2/h5-8,10-13,20H,1,9,14H2,2-4H3,(H,24,27)/t20-/m0/s1
InChIKeyPHBVYGRILYEEBC-FQEVSTJZSA-N
XLogP3.06
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 7268939
N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284978
N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
CID 46276936
2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 40520439
N-(4-chlorophenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 28874003
N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 1256526
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276930
ethyl 3-[[2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002049
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 4874620
2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 45106613
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (CID 92742879) is N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is C=CCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The InChIKey is PHBVYGRILYEEBC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-5-9-25-20(14-21(27)24-15-10-18(31-3)13-19(11-15)32-4)22(28)26(23(25)29)16-7-6-8-17(12-16)30-2/h5-8,10-13,20H,1,9,14H2,2-4H3,(H,24,27)/t20-/m0/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 3.06, 9 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-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 92742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).