N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C18H19N5O5 — CID 7180255

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O
InChIInChI=1S/C18H19N5O5/c1-17(10-19,11-3-4-11)20-14(24)9-22-15(25)18(2,21-16(22)26)12-5-7-13(8-6-12)23(27)28/h5-8,11H,3-4,9H2,1-2H3,(H,20,24)(H,21,26)/t17-,18+/m0/s1
InChIKeyUPDQUPBXYVBSNE-ZWKOTPCHSA-N
MW385.38 g/mol
LogP1.17
Rot. Bonds6

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7180255) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7180255
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O
InChIInChI=1S/C18H19N5O5/c1-17(10-19,11-3-4-11)20-14(24)9-22-15(25)18(2,21-16(22)26)12-5-7-13(8-6-12)23(27)28/h5-8,11H,3-4,9H2,1-2H3,(H,20,24)(H,21,26)/t17-,18+/m0/s1
InChIKeyUPDQUPBXYVBSNE-ZWKOTPCHSA-N
XLogP1.17
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetamide
CID 52516692
N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47082493
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
N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7431279
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7621415
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181621
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119572757
N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7180255) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is UPDQUPBXYVBSNE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-17(10-19,11-3-4-11)20-14(24)9-22-15(25)18(2,21-16(22)26)12-5-7-13(8-6-12)23(27)28/h5-8,11H,3-4,9H2,1-2H3,(H,20,24)(H,21,26)/t17-,18+/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 385.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7180255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).