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

C22H25N3O5 — CID 7566766

IUPACN-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1
InChIInChI=1S/C22H25N3O5/c1-4-30-17-11-9-16(10-12-17)23-19(26)14-25-20(27)22(2,24-21(25)28)13-15-7-5-6-8-18(15)29-3/h5-12H,4,13-14H2,1-3H3,(H,23,26)(H,24,28)/t22-/m0/s1
InChIKeyVENMLKVKFVGEKS-QFIPXVFZSA-N
MW411.46 g/mol
LogP2.59
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7566766) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7566766
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1
InChIInChI=1S/C22H25N3O5/c1-4-30-17-11-9-16(10-12-17)23-19(26)14-25-20(27)22(2,24-21(25)28)13-15-7-5-6-8-18(15)29-3/h5-12H,4,13-14H2,1-3H3,(H,23,26)(H,24,28)/t22-/m0/s1
InChIKeyVENMLKVKFVGEKS-QFIPXVFZSA-N
XLogP2.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 7566638
2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 97072373
N-(2,6-diethylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566562
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7566379
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7565917
N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565952
N-tert-butyl-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565842
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7566741
(5S)-5-[(2-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7566086
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566403
2-[[2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8581604

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7566766) is N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is VENMLKVKFVGEKS-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-4-30-17-11-9-16(10-12-17)23-19(26)14-25-20(27)22(2,24-21(25)28)13-15-7-5-6-8-18(15)29-3/h5-12H,4,13-14H2,1-3H3,(H,23,26)(H,24,28)/t22-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7566766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).