N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C19H25N3O4 — CID 8569191

IUPACN-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)C[C@@H](NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O)c1ccccc1
InChIInChI=1S/C19H25N3O4/c1-12(2)10-15(14-8-6-5-7-9-14)20-16(23)11-21-17(24)18(25)22(13(3)4)19(21)26/h5-9,12-13,15H,10-11H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyFAEADAZHTAKJNI-OAHLLOKOSA-N
MW359.43 g/mol
LogP2.09
Rot. Bonds7

About N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 8569191) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID8569191
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)C[C@@H](NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O)c1ccccc1
InChIInChI=1S/C19H25N3O4/c1-12(2)10-15(14-8-6-5-7-9-14)20-16(23)11-21-17(24)18(25)22(13(3)4)19(21)26/h5-9,12-13,15H,10-11H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyFAEADAZHTAKJNI-OAHLLOKOSA-N
XLogP2.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8569401
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
N-(3-methyl-1-phenylbutyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51190609
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[2,4,5-trioxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]acetamide
CID 34635630
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8522010
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
N-(2-ethylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975944
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 99941505
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43027676
N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 24520327
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652393

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 8569191) is N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)C[C@@H](NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O)c1ccccc1.
What is the InChIKey of N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is FAEADAZHTAKJNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)10-15(14-8-6-5-7-9-14)20-16(23)11-21-17(24)18(25)22(13(3)4)19(21)26/h5-9,12-13,15H,10-11H2,1-4H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).