2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide

C18H25N3O3 — CID 95159656

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)(C)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-12(17(2,3)13-9-7-6-8-10-13)19-14(22)11-21-15(23)18(4,5)20-16(21)24/h6-10,12H,11H2,1-5H3,(H,19,22)(H,20,24)/t12-/m0/s1
InChIKeyBJLKWIBDRFVALT-LBPRGKRZSA-N
MW331.42 g/mol
LogP1.80
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide (PubChem CID 95159656) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide
PubChem CID95159656
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)(C)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-12(17(2,3)13-9-7-6-8-10-13)19-14(22)11-21-15(23)18(4,5)20-16(21)24/h6-10,12H,11H2,1-5H3,(H,19,22)(H,20,24)/t12-/m0/s1
InChIKeyBJLKWIBDRFVALT-LBPRGKRZSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.80
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

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
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467388
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
N-[cyclohexyl(phenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 71685791
(2S)-2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 61173447
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103741600
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 47009609
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 94781992

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide (CID 95159656) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide is C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide?
The InChIKey is BJLKWIBDRFVALT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(17(2,3)13-9-7-6-8-10-13)19-14(22)11-21-15(23)18(4,5)20-16(21)24/h6-10,12H,11H2,1-5H3,(H,19,22)(H,20,24)/t12-/m0/s1.
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 95159656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).