2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide

C28H26N4O5 — CID 38858074

IUPAC2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N(CCC#N)c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H26N4O5/c1-36-23-13-9-20(10-14-23)28(21-11-15-24(37-2)16-12-21)26(34)32(27(35)30-28)19-25(33)31(18-6-17-29)22-7-4-3-5-8-22/h3-5,7-16H,6,18-19H2,1-2H3,(H,30,35)
InChIKeyHJHFTHBOTUNYDS-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.45
Rot. Bonds9

About 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide

2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide (PubChem CID 38858074) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
PubChem CID38858074
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N(CCC#N)c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H26N4O5/c1-36-23-13-9-20(10-14-23)28(21-11-15-24(37-2)16-12-21)26(34)32(27(35)30-28)19-25(33)31(18-6-17-29)22-7-4-3-5-8-22/h3-5,7-16H,6,18-19H2,1-2H3,(H,30,35)
InChIKeyHJHFTHBOTUNYDS-UHFFFAOYSA-N
XLogP3.45
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.45
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-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 16569816
N-(2-cyanoethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 46642421
N-(2-cyanoethyl)-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2099551
N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42990251
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide
CID 55354921
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2121699
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46582965
5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2090016
N-(2-cyanoethyl)-6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylhexanamide
CID 6203567
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222823

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
The IUPAC name of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide (CID 38858074) is 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
The canonical SMILES for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N(CCC#N)c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
The InChIKey is HJHFTHBOTUNYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-36-23-13-9-20(10-14-23)28(21-11-15-24(37-2)16-12-21)26(34)32(27(35)30-28)19-25(33)31(18-6-17-29)22-7-4-3-5-8-22/h3-5,7-16H,6,18-19H2,1-2H3,(H,30,35).
What are the key properties of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide has a molecular weight of 498.54 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide is sourced from PubChem (CID 38858074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).