N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C23H26FN3O5 — CID 46606893

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)C(C)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H26FN3O5/c1-5-25(13-16-6-11-19(31-3)20(12-16)32-4)21(28)14-26-22(29)15(2)27(23(26)30)18-9-7-17(24)8-10-18/h6-12,15H,5,13-14H2,1-4H3
InChIKeyKHNGXTTWAMSBDV-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.05
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46606893) has the molecular formula C23H26FN3O5 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46606893
Molecular FormulaC23H26FN3O5
Molecular Weight443.48 g/mol
Exact Mass443.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)C(C)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H26FN3O5/c1-5-25(13-16-6-11-19(31-3)20(12-16)32-4)21(28)14-26-22(29)15(2)27(23(26)30)18-9-7-17(24)8-10-18/h6-12,15H,5,13-14H2,1-4H3
InChIKeyKHNGXTTWAMSBDV-UHFFFAOYSA-N
XLogP3.05
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
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-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46606893) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)C(C)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KHNGXTTWAMSBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O5/c1-5-25(13-16-6-11-19(31-3)20(12-16)32-4)21(28)14-26-22(29)15(2)27(23(26)30)18-9-7-17(24)8-10-18/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46606893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).