N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H31N3O6 — CID 43000350

IUPACN-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)cc1OCCC
InChIInChI=1S/C25H31N3O6/c1-5-13-33-20-12-9-18(15-21(20)34-14-6-2)26-22(29)16-28-23(30)25(3,27-24(28)31)17-7-10-19(32-4)11-8-17/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,29)(H,27,31)
InChIKeyRGBMSPSXBAFMDD-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.68
Rot. Bonds11

About N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 43000350) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID43000350
Molecular FormulaC25H31N3O6
Molecular Weight469.54 g/mol
Exact Mass469.22
IUPAC NameN-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)cc1OCCC
InChIInChI=1S/C25H31N3O6/c1-5-13-33-20-12-9-18(15-21(20)34-14-6-2)26-22(29)16-28-23(30)25(3,27-24(28)31)17-7-10-19(32-4)11-8-17/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,29)(H,27,31)
InChIKeyRGBMSPSXBAFMDD-UHFFFAOYSA-N
XLogP3.68
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.68
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

butyl 4-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 24672758
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
butyl 4-[[2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 3651067
butyl 4-[[2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 26058006
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 42982770
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857219
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567760
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966
N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119419114
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 43000350) is N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RGBMSPSXBAFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O6/c1-5-13-33-20-12-9-18(15-21(20)34-14-6-2)26-22(29)16-28-23(30)25(3,27-24(28)31)17-7-10-19(32-4)11-8-17/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,29)(H,27,31).
What are the key properties of N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 43000350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).