2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C23H34N6O6 — CID 24568484

IUPAC2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)NN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)CC1
InChIInChI=1S/C23H34N6O6/c1-23(17-5-7-18(35-3)8-6-17)21(32)29(22(33)25-23)26-20(31)16-28-12-10-27(11-13-28)15-19(30)24-9-4-14-34-2/h5-8H,4,9-16H2,1-3H3,(H,24,30)(H,25,33)(H,26,31)
InChIKeyKGMVKSOOXRAGPQ-UHFFFAOYSA-N
MW490.56 g/mol
LogP-0.74
Rot. Bonds11

About 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 24568484) has the molecular formula C23H34N6O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID24568484
Molecular FormulaC23H34N6O6
Molecular Weight490.56 g/mol
Exact Mass490.25
IUPAC Name2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)NN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)CC1
InChIInChI=1S/C23H34N6O6/c1-23(17-5-7-18(35-3)8-6-17)21(32)29(22(33)25-23)26-20(31)16-28-12-10-27(11-13-28)15-19(30)24-9-4-14-34-2/h5-8H,4,9-16H2,1-3H3,(H,24,30)(H,25,33)(H,26,31)
InChIKeyKGMVKSOOXRAGPQ-UHFFFAOYSA-N
XLogP-0.74
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 55511314
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565232
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 2421632
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55468897
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55498703

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 24568484) is 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(CC(=O)NN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)CC1.
What is the InChIKey of 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is KGMVKSOOXRAGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O6/c1-23(17-5-7-18(35-3)8-6-17)21(32)29(22(33)25-23)26-20(31)16-28-12-10-27(11-13-28)15-19(30)24-9-4-14-34-2/h5-8H,4,9-16H2,1-3H3,(H,24,30)(H,25,33)(H,26,31).
What are the key properties of 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 490.56 g/mol, XLogP of -0.74, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 24568484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).