N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide

C25H24N4O3 — CID 135474672

IUPACN-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide
SMILESCOc1ccc(CNC(=O)C/N=C2\NC(=O)C(c3ccccc3)(c3ccccc3)N2)cc1
InChIInChI=1S/C25H24N4O3/c1-32-21-14-12-18(13-15-21)16-26-22(30)17-27-24-28-23(31)25(29-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30)(H2,27,28,29,31)
InChIKeyUHPIQLYWHDIZNO-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.33
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide (PubChem CID 135474672) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide
PubChem CID135474672
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide
SMILESCOc1ccc(CNC(=O)C/N=C2\NC(=O)C(c3ccccc3)(c3ccccc3)N2)cc1
InChIInChI=1S/C25H24N4O3/c1-32-21-14-12-18(13-15-21)16-26-22(30)17-27-24-28-23(31)25(29-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30)(H2,27,28,29,31)
InChIKeyUHPIQLYWHDIZNO-UHFFFAOYSA-N
XLogP2.33
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide (CID 135474672) is N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide is COc1ccc(CNC(=O)C/N=C2\NC(=O)C(c3ccccc3)(c3ccccc3)N2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
The InChIKey is UHPIQLYWHDIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-32-21-14-12-18(13-15-21)16-26-22(30)17-27-24-28-23(31)25(29-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide is sourced from PubChem (CID 135474672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).