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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Related Compounds

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxy-3-methylpentanamide
CID 16718474
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
(5S)-5-[(4-bromophenyl)methoxymethyl]-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]imidazolidine-2,4-dione;ethene
CID 161301627
(2R)-N-(4-chlorophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]propanamide
CID 9264854
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2463070
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916991
N-(4-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4877686
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619

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).