N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C17H22N4O4 — CID 2429434

IUPACN-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C17H22N4O4/c1-16(2,3)19-14(24)18-12(22)10-21-13(23)17(4,20-15(21)25)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,20,25)(H2,18,19,22,24)/t17-/m1/s1
InChIKeyAEZULKNIKFKUOR-QGZVFWFLSA-N
MW346.39 g/mol
LogP1.08
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 2429434) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID2429434
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C17H22N4O4/c1-16(2,3)19-14(24)18-12(22)10-21-13(23)17(4,20-15(21)25)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,20,25)(H2,18,19,22,24)/t17-/m1/s1
InChIKeyAEZULKNIKFKUOR-QGZVFWFLSA-N
XLogP1.08
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242674
N-(tert-butylcarbamoyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7883905
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 7691908
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55418161
N-(2-bromophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2581057
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 2429434) is N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is AEZULKNIKFKUOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-16(2,3)19-14(24)18-12(22)10-21-13(23)17(4,20-15(21)25)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,20,25)(H2,18,19,22,24)/t17-/m1/s1.
What are the key properties of N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2429434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).