N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

C27H27N3O3 — CID 25340413

IUPACN-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C27H27N3O3/c1-2-18-27(22-16-10-5-11-17-22)25(32)30(26(33)29-27)19-23(31)28-24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,24H,2,18-19H2,1H3,(H,28,31)(H,29,33)/t27-/m0/s1
InChIKeyAGRVZRPBEYUQBO-MHZLTWQESA-N
MW441.53 g/mol
LogP4.14
Rot. Bonds8

About N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (PubChem CID 25340413) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
PubChem CID25340413
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C27H27N3O3/c1-2-18-27(22-16-10-5-11-17-22)25(32)30(26(33)29-27)19-23(31)28-24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,24H,2,18-19H2,1H3,(H,28,31)(H,29,33)/t27-/m0/s1
InChIKeyAGRVZRPBEYUQBO-MHZLTWQESA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.14
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-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-1,2-diphenylethyl]acetamide
CID 41208188
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30761854
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
2-[[2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
N-benzhydryl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2425467
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40974556
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 41210523

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (CID 25340413) is N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The InChIKey is AGRVZRPBEYUQBO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H27N3O3/c1-2-18-27(22-16-10-5-11-17-22)25(32)30(26(33)29-27)19-23(31)28-24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,24H,2,18-19H2,1H3,(H,28,31)(H,29,33)/t27-/m0/s1.
What are the key properties of N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 25340413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).