N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide

C27H28N4O3 — CID 40774758

IUPACN-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide
SMILESCCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccncc2)cc1
InChIInChI=1S/C27H28N4O3/c1-3-20-6-8-22(9-7-20)29-25(32)18-24-26(33)31(23-10-4-19(2)5-11-23)27(34)30(24)17-14-21-12-15-28-16-13-21/h4-13,15-16,24H,3,14,17-18H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyINQXELNNXDVXKB-DEOSSOPVSA-N
MW456.55 g/mol
LogP4.36
Rot. Bonds8

About N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide

N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide (PubChem CID 40774758) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide
PubChem CID40774758
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide
SMILESCCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccncc2)cc1
InChIInChI=1S/C27H28N4O3/c1-3-20-6-8-22(9-7-20)29-25(32)18-24-26(33)31(23-10-4-19(2)5-11-23)27(34)30(24)17-14-21-12-15-28-16-13-21/h4-13,15-16,24H,3,14,17-18H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyINQXELNNXDVXKB-DEOSSOPVSA-N
XLogP4.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 28701835
methyl 4-[[2-[(4R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263517
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4976513
ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 2978526
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775847
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41140598
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-pyridin-4-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 72546898
2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 92742885
N-(4-ethylphenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774472
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
N-(4-ethylphenyl)-2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7340943

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide (CID 40774758) is N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide is CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccncc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide?
The InChIKey is INQXELNNXDVXKB-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-3-20-6-8-22(9-7-20)29-25(32)18-24-26(33)31(23-10-4-19(2)5-11-23)27(34)30(24)17-14-21-12-15-28-16-13-21/h4-13,15-16,24H,3,14,17-18H2,1-2H3,(H,29,32)/t24-/m0/s1.
What are the key properties of N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide?
N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide has a molecular weight of 456.55 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 40774758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).