N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide

C26H25N3O5 — CID 41001950

IUPACN-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C26H25N3O5/c1-33-21-13-11-19(12-14-21)27-24(30)16-23-25(31)29(20-8-4-3-5-9-20)26(32)28(23)17-18-7-6-10-22(15-18)34-2/h3-15,23H,16-17H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyJTDBMPOXBQHXQB-QHCPKHFHSA-N
MW459.50 g/mol
LogP4.07
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (PubChem CID 41001950) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
PubChem CID41001950
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C26H25N3O5/c1-33-21-13-11-19(12-14-21)27-24(30)16-23-25(31)29(20-8-4-3-5-9-20)26(32)28(23)17-18-7-6-10-22(15-18)34-2/h3-15,23H,16-17H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyJTDBMPOXBQHXQB-QHCPKHFHSA-N
XLogP4.07
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001956
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41002004
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001990
2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5213462
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690485
2-[(4R)-3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242683
ethyl 3-[[2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002054
2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 92690482
2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 1303530
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5296381
2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 27444104

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (CID 41001950) is N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The InChIKey is JTDBMPOXBQHXQB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-33-21-13-11-19(12-14-21)27-24(30)16-23-25(31)29(20-8-4-3-5-9-20)26(32)28(23)17-18-7-6-10-22(15-18)34-2/h3-15,23H,16-17H2,1-2H3,(H,27,30)/t23-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide has a molecular weight of 459.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 41001950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).