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

C18H22N4O6 — CID 8889133

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C18H22N4O6/c1-10(2)8-21-16(25)17(26)22(18(21)27)9-15(24)20-13-7-12(19-11(3)23)5-6-14(13)28-4/h5-7,10H,8-9H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyVLVMNJVSDKZHMY-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.04
Rot. Bonds7

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

N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 8889133) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID8889133
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C18H22N4O6/c1-10(2)8-21-16(25)17(26)22(18(21)27)9-15(24)20-13-7-12(19-11(3)23)5-6-14(13)28-4/h5-7,10H,8-9H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyVLVMNJVSDKZHMY-UHFFFAOYSA-N
XLogP1.04
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342184
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-(5-acetamido-2-methoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 17445310
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837528
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51139615
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 8889133) is N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is VLVMNJVSDKZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-10(2)8-21-16(25)17(26)22(18(21)27)9-15(24)20-13-7-12(19-11(3)23)5-6-14(13)28-4/h5-7,10H,8-9H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8889133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).