N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H22N4O5 — CID 7180175

IUPACN-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C17H22N4O5/c1-10(2)11(3)18-14(22)9-20-15(23)17(4,19-16(20)24)12-5-7-13(8-6-12)21(25)26/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,24)/t11-,17+/m1/s1
InChIKeyKPYLSXHGNMBYPN-DIFFPNOSSA-N
MW362.39 g/mol
LogP1.52
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7180175) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7180175
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C17H22N4O5/c1-10(2)11(3)18-14(22)9-20-15(23)17(4,19-16(20)24)12-5-7-13(8-6-12)21(25)26/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,24)/t11-,17+/m1/s1
InChIKeyKPYLSXHGNMBYPN-DIFFPNOSSA-N
XLogP1.52
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46665832
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180249
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180369
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 43042896
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228
2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24565834
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044
N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7431279

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7180175) is N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KPYLSXHGNMBYPN-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-10(2)11(3)18-14(22)9-20-15(23)17(4,19-16(20)24)12-5-7-13(8-6-12)21(25)26/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,24)/t11-,17+/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7180175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).