2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

C18H25N3O4 — CID 143485175

IUPAC2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCCc1ccc(CC[C@@H]2NC(=O)N(C(C(=O)NO)C(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-4-12-5-7-13(8-6-12)9-10-14-17(23)21(18(24)19-14)15(11(2)3)16(22)20-25/h5-8,11,14-15,25H,4,9-10H2,1-3H3,(H,19,24)(H,20,22)/t14-,15?/m0/s1
InChIKeyNWLXTTVQMMHIBQ-MLCCFXAWSA-N
MW347.42 g/mol
LogP1.63
Rot. Bonds7

About 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (PubChem CID 143485175) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
PubChem CID143485175
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCCc1ccc(CC[C@@H]2NC(=O)N(C(C(=O)NO)C(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-4-12-5-7-13(8-6-12)9-10-14-17(23)21(18(24)19-14)15(11(2)3)16(22)20-25/h5-8,11,14-15,25H,4,9-10H2,1-3H3,(H,19,24)(H,20,22)/t14-,15?/m0/s1
InChIKeyNWLXTTVQMMHIBQ-MLCCFXAWSA-N
XLogP1.63
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (CID 143485175) is 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is CCc1ccc(CC[C@@H]2NC(=O)N(C(C(=O)NO)C(C)C)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The InChIKey is NWLXTTVQMMHIBQ-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-12-5-7-13(8-6-12)9-10-14-17(23)21(18(24)19-14)15(11(2)3)16(22)20-25/h5-8,11,14-15,25H,4,9-10H2,1-3H3,(H,19,24)(H,20,22)/t14-,15?/m0/s1.
What are the key properties of 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide has a molecular weight of 347.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[2-(4-ethylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 143485175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).