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

C21H23N3O4 — CID 7595447

IUPAC2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccccc2C)C1=O
InChIInChI=1S/C21H23N3O4/c1-4-21(15-9-11-16(28-3)12-10-15)19(26)24(20(27)23-21)13-18(25)22-17-8-6-5-7-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,27)/t21-/m0/s1
InChIKeyTZZOYZRVSJNANW-NRFANRHFSA-N
MW381.43 g/mol
LogP2.80
Rot. Bonds6

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

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 7595447) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID7595447
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccccc2C)C1=O
InChIInChI=1S/C21H23N3O4/c1-4-21(15-9-11-16(28-3)12-10-15)19(26)24(20(27)23-21)13-18(25)22-17-8-6-5-7-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,27)/t21-/m0/s1
InChIKeyTZZOYZRVSJNANW-NRFANRHFSA-N
XLogP2.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8565956
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7802383
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17449465
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
methyl 3-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methylbenzoate
CID 16550511
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7595557
N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595573
N-(tert-butylcarbamoyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595574
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 7595447) is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccccc2C)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is TZZOYZRVSJNANW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-21(15-9-11-16(28-3)12-10-15)19(26)24(20(27)23-21)13-18(25)22-17-8-6-5-7-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,27)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7595447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).