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

C18H24N4O4 — CID 8889066

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C18H24N4O4/c1-12(2)10-21-16(24)17(25)22(18(21)26)11-15(23)19-9-13-5-7-14(8-6-13)20(3)4/h5-8,12H,9-11H2,1-4H3,(H,19,23)
InChIKeyMYZVCPICMBEALC-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.82
Rot. Bonds7

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

N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 8889066) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID8889066
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C18H24N4O4/c1-12(2)10-21-16(24)17(25)22(18(21)26)11-15(23)19-9-13-5-7-14(8-6-13)20(3)4/h5-8,12H,9-11H2,1-4H3,(H,19,23)
InChIKeyMYZVCPICMBEALC-UHFFFAOYSA-N
XLogP0.82
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9305460
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574488
N-[4-(dimethylamino)phenyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7762086
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 97090099
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51207809
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 8889066) is N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is MYZVCPICMBEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12(2)10-21-16(24)17(25)22(18(21)26)11-15(23)19-9-13-5-7-14(8-6-13)20(3)4/h5-8,12H,9-11H2,1-4H3,(H,19,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8889066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).