N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C28H26N4O3 — CID 16569816

IUPACN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C28H26N4O3/c1-20-16-21(2)18-24(17-20)31(15-9-14-29)25(33)19-32-26(34)28(30-27(32)35,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,16-18H,9,15,19H2,1-2H3,(H,30,35)
InChIKeyPFFFLQBALJOZKY-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.05
Rot. Bonds7

About N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 16569816) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID16569816
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C28H26N4O3/c1-20-16-21(2)18-24(17-20)31(15-9-14-29)25(33)19-32-26(34)28(30-27(32)35,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,16-18H,9,15,19H2,1-2H3,(H,30,35)
InChIKeyPFFFLQBALJOZKY-UHFFFAOYSA-N
XLogP4.05
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 38858074
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-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934639
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 2393435
2-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 63679867
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78851600
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
CID 46583019
N-(2-cyanoethyl)-2-(2,6-dimethylmorpholin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 51173567
N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46582965

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 16569816) is N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is PFFFLQBALJOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-20-16-21(2)18-24(17-20)31(15-9-14-29)25(33)19-32-26(34)28(30-27(32)35,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,16-18H,9,15,19H2,1-2H3,(H,30,35).
What are the key properties of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 466.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 16569816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).