2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide

C22H33N3O4 — CID 8566066

IUPAC2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
SMILESCCCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C22H33N3O4/c1-5-7-8-9-10-16(3)23-19(26)15-25-20(27)22(6-2,24-21(25)28)17-11-13-18(29-4)14-12-17/h11-14,16H,5-10,15H2,1-4H3,(H,23,26)(H,24,28)/t16-,22-/m1/s1
InChIKeyQOBZKCHCVNDVLJ-OPAMFIHVSA-N
MW403.52 g/mol
LogP3.33
Rot. Bonds11

About 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide

2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide (PubChem CID 8566066) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
PubChem CID8566066
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
SMILESCCCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C22H33N3O4/c1-5-7-8-9-10-16(3)23-19(26)15-25-20(27)22(6-2,24-21(25)28)17-11-13-18(29-4)14-12-17/h11-14,16H,5-10,15H2,1-4H3,(H,23,26)(H,24,28)/t16-,22-/m1/s1
InChIKeyQOBZKCHCVNDVLJ-OPAMFIHVSA-N
XLogP3.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 8566054
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 7802468
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 8571329
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7179501
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51448091
N-(tert-butylcarbamoyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595574
N-butyl-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 8565893
N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595573

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide?
The IUPAC name of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide (CID 8566066) is 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide.
What is the SMILES notation for 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide?
The canonical SMILES for 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide is CCCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide?
The InChIKey is QOBZKCHCVNDVLJ-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-5-7-8-9-10-16(3)23-19(26)15-25-20(27)22(6-2,24-21(25)28)17-11-13-18(29-4)14-12-17/h11-14,16H,5-10,15H2,1-4H3,(H,23,26)(H,24,28)/t16-,22-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide?
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide has a molecular weight of 403.52 g/mol, XLogP of 3.33, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide is sourced from PubChem (CID 8566066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).