4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide

C17H22FN3O3 — CID 18111423

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O3/c1-11(12-6-8-13(18)9-7-12)19-14(22)5-4-10-21-15(23)17(2,3)20-16(21)24/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyYVTYZNNCDWPZAW-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.11
Rot. Bonds6

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 18111423) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
PubChem CID18111423
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O3/c1-11(12-6-8-13(18)9-7-12)19-14(22)5-4-10-21-15(23)17(2,3)20-16(21)24/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyYVTYZNNCDWPZAW-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 8732700
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9396548
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703323

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide (CID 18111423) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide is CC(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is YVTYZNNCDWPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-11(12-6-8-13(18)9-7-12)19-14(22)5-4-10-21-15(23)17(2,3)20-16(21)24/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 335.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 18111423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).