N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide

C25H31N3O6 — CID 26565706

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C25H31N3O6/c1-7-15(2)16-8-10-18(11-9-16)26-21(29)14-28-23(30)25(3,27-24(28)31)17-12-19(32-4)22(34-6)20(13-17)33-5/h8-13,15H,7,14H2,1-6H3,(H,26,29)(H,27,31)/t15-,25+/m0/s1
InChIKeyZTWUOGDKPSMQFR-ODCWNRFASA-N
MW469.54 g/mol
LogP3.63
Rot. Bonds9

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide (PubChem CID 26565706) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide
PubChem CID26565706
Molecular FormulaC25H31N3O6
Molecular Weight469.54 g/mol
Exact Mass469.22
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C25H31N3O6/c1-7-15(2)16-8-10-18(11-9-16)26-21(29)14-28-23(30)25(3,27-24(28)31)17-12-19(32-4)22(34-6)20(13-17)33-5/h8-13,15H,7,14H2,1-6H3,(H,26,29)(H,27,31)/t15-,25+/m0/s1
InChIKeyZTWUOGDKPSMQFR-ODCWNRFASA-N
XLogP3.63
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.63
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

N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595738
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884350
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884348
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567760
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2620124
2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 2612679
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179723
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2582947
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2584092
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56504885

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide (CID 26565706) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide is CC[C@H](C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is ZTWUOGDKPSMQFR-ODCWNRFASA-N. The full InChI is InChI=1S/C25H31N3O6/c1-7-15(2)16-8-10-18(11-9-16)26-21(29)14-28-23(30)25(3,27-24(28)31)17-12-19(32-4)22(34-6)20(13-17)33-5/h8-13,15H,7,14H2,1-6H3,(H,26,29)(H,27,31)/t15-,25+/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(3,4,5-trimethoxyphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 26565706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).