[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate

C25H30N4O5 — CID 146124057

IUPAC[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
SMILESCC(OC(=O)CN1C(=O)NC(C)(CCc2ccccc2)C1=O)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C25H30N4O5/c1-17(22(31)26-19-10-12-20(13-11-19)28(3)4)34-21(30)16-29-23(32)25(2,27-24(29)33)15-14-18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3,(H,26,31)(H,27,33)
InChIKeyLCGPIIVAPGPGHG-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.57
Rot. Bonds9

About [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate

[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate (PubChem CID 146124057) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
PubChem CID146124057
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
SMILESCC(OC(=O)CN1C(=O)NC(C)(CCc2ccccc2)C1=O)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C25H30N4O5/c1-17(22(31)26-19-10-12-20(13-11-19)28(3)4)34-21(30)16-29-23(32)25(2,27-24(29)33)15-14-18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3,(H,26,31)(H,27,33)
InChIKeyLCGPIIVAPGPGHG-UHFFFAOYSA-N
XLogP2.57
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793552
[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 92784210
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093948
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685080
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957758
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793615
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793599
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793598
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209779
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486544

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
The IUPAC name of [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate (CID 146124057) is [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate.
What is the SMILES notation for [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
The canonical SMILES for [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate is CC(OC(=O)CN1C(=O)NC(C)(CCc2ccccc2)C1=O)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
The InChIKey is LCGPIIVAPGPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-17(22(31)26-19-10-12-20(13-11-19)28(3)4)34-21(30)16-29-23(32)25(2,27-24(29)33)15-14-18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3,(H,26,31)(H,27,33).
What are the key properties of [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate has a molecular weight of 466.54 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 146124057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).