2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

C24H27N3O3 — CID 7373354

IUPAC2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(C3CCCCC3)C2=O)c1
InChIInChI=1S/C24H27N3O3/c1-17-9-8-14-20(15-17)27-23(29)21(16-22(28)25-18-10-4-2-5-11-18)26(24(27)30)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19,21H,3,6-7,12-13,16H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyWAGPDBUFMITLIC-NRFANRHFSA-N
MW405.50 g/mol
LogP4.49
Rot. Bonds5

About 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 7373354) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID7373354
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(C3CCCCC3)C2=O)c1
InChIInChI=1S/C24H27N3O3/c1-17-9-8-14-20(15-17)27-23(29)21(16-22(28)25-18-10-4-2-5-11-18)26(24(27)30)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19,21H,3,6-7,12-13,16H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyWAGPDBUFMITLIC-NRFANRHFSA-N
XLogP4.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[2-[(4R)-3-cyclopentyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002058
2-[(4R)-3-cyclopentyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 41263562
2-[3-cyclopropyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 6622829
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40775283
methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263530
2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40520463
ethyl 3-[[2-[(4S)-3-cyclopentyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774385
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
2-[(4R)-3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080609
N-(4-chlorophenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 28874003

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 7373354) is 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(C3CCCCC3)C2=O)c1.
What is the InChIKey of 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is WAGPDBUFMITLIC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-9-8-14-20(15-17)27-23(29)21(16-22(28)25-18-10-4-2-5-11-18)26(24(27)30)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19,21H,3,6-7,12-13,16H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 7373354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).