N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C23H27N3O3 — CID 7595756

IUPACN-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H27N3O3/c1-14(2)17-9-11-18(12-10-17)23(5)21(28)26(22(29)25-23)13-19(27)24-20-15(3)7-6-8-16(20)4/h6-12,14H,13H2,1-5H3,(H,24,27)(H,25,29)/t23-/m1/s1
InChIKeyPQLLTXZLLBYQHC-HSZRJFAPSA-N
MW393.49 g/mol
LogP3.83
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 7595756) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID7595756
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H27N3O3/c1-14(2)17-9-11-18(12-10-17)23(5)21(28)26(22(29)25-23)13-19(27)24-20-15(3)7-6-8-16(20)4/h6-12,14H,13H2,1-5H3,(H,24,27)(H,25,29)/t23-/m1/s1
InChIKeyPQLLTXZLLBYQHC-HSZRJFAPSA-N
XLogP3.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 7595756) is N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is PQLLTXZLLBYQHC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14(2)17-9-11-18(12-10-17)23(5)21(28)26(22(29)25-23)13-19(27)24-20-15(3)7-6-8-16(20)4/h6-12,14H,13H2,1-5H3,(H,24,27)(H,25,29)/t23-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 7595756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).