N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide

C27H27N3O3 — CID 24566030

IUPACN-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C27H27N3O3/c1-2-18-27(22-14-8-4-9-15-22)25(32)30(26(33)28-27)20-24(31)29(23-16-10-5-11-17-23)19-21-12-6-3-7-13-21/h3-17H,2,18-20H2,1H3,(H,28,33)
InChIKeyAPHBMSCRLLASAH-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.47
Rot. Bonds8

About N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide

N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide (PubChem CID 24566030) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
PubChem CID24566030
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C27H27N3O3/c1-2-18-27(22-14-8-4-9-15-22)25(32)30(26(33)28-27)20-24(31)29(23-16-10-5-11-17-23)19-21-12-6-3-7-13-21/h3-17H,2,18-20H2,1H3,(H,28,33)
InChIKeyAPHBMSCRLLASAH-UHFFFAOYSA-N
XLogP4.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.47
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

N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8572195
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenyl-N-prop-2-enylacetamide
CID 51215251
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 17431429
N-cyclopropyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8572165
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
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]acetonitrile
CID 2585411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide (CID 24566030) is N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide is CCCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide?
The InChIKey is APHBMSCRLLASAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-2-18-27(22-14-8-4-9-15-22)25(32)30(26(33)28-27)20-24(31)29(23-16-10-5-11-17-23)19-21-12-6-3-7-13-21/h3-17H,2,18-20H2,1H3,(H,28,33).
What are the key properties of N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide?
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide has a molecular weight of 441.53 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 24566030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).