N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C22H23N3O5 — CID 7837528

IUPACN-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(CC(C)C)C3=O)cc2)cc1
InChIInChI=1S/C22H23N3O5/c1-14(2)12-24-20(27)21(28)25(22(24)29)13-19(26)23-16-6-10-18(11-7-16)30-17-8-4-15(3)5-9-17/h4-11,14H,12-13H2,1-3H3,(H,23,26)
InChIKeyUUPTYBYUGARHFF-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.17
Rot. Bonds7

About N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7837528) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7837528
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(CC(C)C)C3=O)cc2)cc1
InChIInChI=1S/C22H23N3O5/c1-14(2)12-24-20(27)21(28)25(22(24)29)13-19(26)23-16-6-10-18(11-7-16)30-17-8-4-15(3)5-9-17/h4-11,14H,12-13H2,1-3H3,(H,23,26)
InChIKeyUUPTYBYUGARHFF-UHFFFAOYSA-N
XLogP3.17
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 4880290
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889133
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7837528) is N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(CC(C)C)C3=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is UUPTYBYUGARHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(2)12-24-20(27)21(28)25(22(24)29)13-19(26)23-16-6-10-18(11-7-16)30-17-8-4-15(3)5-9-17/h4-11,14H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7837528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).