N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C17H21N3O4 — CID 8569401

IUPACN-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-11(2)9-13(12-7-5-4-6-8-12)18-14(21)10-20-16(23)15(22)19(3)17(20)24/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyPDESZEVRMYCZOV-ZDUSSCGKSA-N
MW331.37 g/mol
LogP1.31
Rot. Bonds6

About N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 8569401) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID8569401
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-11(2)9-13(12-7-5-4-6-8-12)18-14(21)10-20-16(23)15(22)19(3)17(20)24/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyPDESZEVRMYCZOV-ZDUSSCGKSA-N
XLogP1.31
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.31
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-[(1R)-3-methyl-1-phenylbutyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8569191
N-(3-methyl-1-phenylbutyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51190609
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756670
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
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
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 24520327
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8522010
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 8569401) is N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CC(C)C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1.
What is the InChIKey of N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is PDESZEVRMYCZOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(2)9-13(12-7-5-4-6-8-12)18-14(21)10-20-16(23)15(22)19(3)17(20)24/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-phenylbutyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8569401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).