2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C26H30N4O3 — CID 41088709

IUPAC2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H30N4O3/c31-23(18-29-16-15-19-9-7-8-10-20(19)17-29)28-30-24(32)26(27-25(30)33,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,19-20H,7-10,15-18H2,(H,27,33)(H,28,31)/t19-,20+/m0/s1
InChIKeyAOVXLKFCLQDBIE-VQTJNVASSA-N
MW446.55 g/mol
LogP3.03
Rot. Bonds5

About 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 41088709) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID41088709
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H30N4O3/c31-23(18-29-16-15-19-9-7-8-10-20(19)17-29)28-30-24(32)26(27-25(30)33,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,19-20H,7-10,15-18H2,(H,27,33)(H,28,31)/t19-,20+/m0/s1
InChIKeyAOVXLKFCLQDBIE-VQTJNVASSA-N
XLogP3.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(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-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 25363672
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931805
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931716
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,6-dichlorophenyl)acetamide
CID 11940729
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-phenylphenyl)acetamide
CID 11940894
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-iodophenyl)acetamide
CID 11940842
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-methylphenyl)acetamide
CID 11940545
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 11940864
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9283118

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 41088709) is 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is AOVXLKFCLQDBIE-VQTJNVASSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-23(18-29-16-15-19-9-7-8-10-20(19)17-29)28-30-24(32)26(27-25(30)33,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,19-20H,7-10,15-18H2,(H,27,33)(H,28,31)/t19-,20+/m0/s1.
What are the key properties of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 41088709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).