N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C28H29N3O5 — CID 40774827

IUPACN-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29N3O5/c1-4-36-24-15-9-21(10-16-24)29-26(32)17-25-27(33)31(22-11-5-19(2)6-12-22)28(34)30(25)18-20-7-13-23(35-3)14-8-20/h5-16,25H,4,17-18H2,1-3H3,(H,29,32)/t25-/m0/s1
InChIKeyNDYCFTYXKHJHCY-VWLOTQADSA-N
MW487.56 g/mol
LogP4.77
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 40774827) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID40774827
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29N3O5/c1-4-36-24-15-9-21(10-16-24)29-26(32)17-25-27(33)31(22-11-5-19(2)6-12-22)28(34)30(25)18-20-7-13-23(35-3)14-8-20/h5-16,25H,4,17-18H2,1-3H3,(H,29,32)/t25-/m0/s1
InChIKeyNDYCFTYXKHJHCY-VWLOTQADSA-N
XLogP4.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.77
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

ethyl 4-[[2-[(4R)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698500
2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 27444104
N-(4-ethylphenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774472
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-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5296381
2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 28701835
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
ethyl 4-[[2-[(4S)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698501
N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165121
N-(4-ethoxyphenyl)-2-[(4S)-1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701800

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 40774827) is N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is NDYCFTYXKHJHCY-VWLOTQADSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-4-36-24-15-9-21(10-16-24)29-26(32)17-25-27(33)31(22-11-5-19(2)6-12-22)28(34)30(25)18-20-7-13-23(35-3)14-8-20/h5-16,25H,4,17-18H2,1-3H3,(H,29,32)/t25-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 40774827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).