2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C24H29N3O3 — CID 29170365

IUPAC2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C24H29N3O3/c1-15(2)18-11-8-12-19(16(3)4)22(18)26-21(28)14-27-23(29)20(25-24(27)30)13-17-9-6-5-7-10-17/h5-12,15-16,20H,13-14H2,1-4H3,(H,25,30)(H,26,28)/t20-/m0/s1
InChIKeyHEJSTBZOSSFLFA-FQEVSTJZSA-N
MW407.51 g/mol
LogP4.03
Rot. Bonds7

About 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 29170365) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID29170365
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C24H29N3O3/c1-15(2)18-11-8-12-19(16(3)4)22(18)26-21(28)14-27-23(29)20(25-24(27)30)13-17-9-6-5-7-10-17/h5-12,15-16,20H,13-14H2,1-4H3,(H,25,30)(H,26,28)/t20-/m0/s1
InChIKeyHEJSTBZOSSFLFA-FQEVSTJZSA-N
XLogP4.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3967620
N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2462942
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 18074733
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 51865412
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2602148
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 41117633

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 29170365) is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is HEJSTBZOSSFLFA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15(2)18-11-8-12-19(16(3)4)22(18)26-21(28)14-27-23(29)20(25-24(27)30)13-17-9-6-5-7-10-17/h5-12,15-16,20H,13-14H2,1-4H3,(H,25,30)(H,26,28)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 29170365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).