N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C27H27N3O4 — CID 91823488

IUPACN-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)NC(CC(=O)NCCC(c3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H27N3O4/c1-34-22-14-12-21(13-15-22)30-26(32)24(29-27(30)33)18-25(31)28-17-16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3,(H,28,31)(H,29,33)
InChIKeyNTGBXEMJTHANOJ-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.85
Rot. Bonds9

About N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 91823488) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID91823488
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)NC(CC(=O)NCCC(c3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H27N3O4/c1-34-22-14-12-21(13-15-22)30-26(32)24(29-27(30)33)18-25(31)28-17-16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3,(H,28,31)(H,29,33)
InChIKeyNTGBXEMJTHANOJ-UHFFFAOYSA-N
XLogP3.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 102564386
N-(2-imidazol-1-ylethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823097
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
CID 124847066
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124849117
3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 124849525
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861754
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124848719
N-(1,1-dioxothiolan-3-yl)-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 102564371
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124848736

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 91823488) is N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(N2C(=O)NC(CC(=O)NCCC(c3ccccc3)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is NTGBXEMJTHANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-34-22-14-12-21(13-15-22)30-26(32)24(29-27(30)33)18-25(31)28-17-16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3,(H,28,31)(H,29,33).
What are the key properties of N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 91823488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).