N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C28H39N3O3 — CID 40882995

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H39N3O3/c1-17(28-13-18-10-19(14-28)12-20(11-18)15-28)29-23(32)16-31-24(33)27(5,30-25(31)34)22-8-6-21(7-9-22)26(2,3)4/h6-9,17-20H,10-16H2,1-5H3,(H,29,32)(H,30,34)/t17-,18?,19?,20?,27-,28?/m1/s1
InChIKeyVUBSQTFQSAYACB-CWYOXZKUSA-N
MW465.64 g/mol
LogP4.47
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40882995) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID40882995
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H39N3O3/c1-17(28-13-18-10-19(14-28)12-20(11-18)15-28)29-23(32)16-31-24(33)27(5,30-25(31)34)22-8-6-21(7-9-22)26(2,3)4/h6-9,17-20H,10-16H2,1-5H3,(H,29,32)(H,30,34)/t17-,18?,19?,20?,27-,28?/m1/s1
InChIKeyVUBSQTFQSAYACB-CWYOXZKUSA-N
XLogP4.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-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

N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242129
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
N-[1-(1-adamantyl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 4804481
N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170041
N-(1-adamantyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802483
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2488720
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 40918408
(5S)-5-(4-tert-butylphenyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 31118115

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40882995) is N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is VUBSQTFQSAYACB-CWYOXZKUSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-17(28-13-18-10-19(14-28)12-20(11-18)15-28)29-23(32)16-31-24(33)27(5,30-25(31)34)22-8-6-21(7-9-22)26(2,3)4/h6-9,17-20H,10-16H2,1-5H3,(H,29,32)(H,30,34)/t17-,18?,19?,20?,27-,28?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 465.64 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40882995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).