N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H23N3O6 — CID 2620124

IUPACN-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC
InChIInChI=1S/C22H23N3O6/c1-13(26)14-5-8-16(9-6-14)23-19(27)12-25-20(28)22(2,24-21(25)29)15-7-10-17(30-3)18(11-15)31-4/h5-11H,12H2,1-4H3,(H,23,27)(H,24,29)/t22-/m0/s1
InChIKeyBLTWRDGYCTVTTK-QFIPXVFZSA-N
MW425.44 g/mol
LogP2.31
Rot. Bonds7

About N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2620124) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2620124
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC
InChIInChI=1S/C22H23N3O6/c1-13(26)14-5-8-16(9-6-14)23-19(27)12-25-20(28)22(2,24-21(25)29)15-7-10-17(30-3)18(11-15)31-4/h5-11H,12H2,1-4H3,(H,23,27)(H,24,29)/t22-/m0/s1
InChIKeyBLTWRDGYCTVTTK-QFIPXVFZSA-N
XLogP2.31
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 2612679
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567760
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41104966
N-(5-chloro-2-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40987053
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2500302
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7872893
N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119419114
N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
butyl 4-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 24672758
N-(2-methoxyphenyl)-4-[[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 51437759
N-(4-acetylphenyl)-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17397205

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2620124) is N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is BLTWRDGYCTVTTK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-13(26)14-5-8-16(9-6-14)23-19(27)12-25-20(28)22(2,24-21(25)29)15-7-10-17(30-3)18(11-15)31-4/h5-11H,12H2,1-4H3,(H,23,27)(H,24,29)/t22-/m0/s1.
What are the key properties of N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2620124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).