4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide

C20H20N4O6 — CID 9294657

IUPAC4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C20H20N4O6/c1-3-20(14-8-6-5-7-9-14)18(26)23(19(27)21-20)22-17(25)13-10-11-16(30-4-2)15(12-13)24(28)29/h5-12H,3-4H2,1-2H3,(H,21,27)(H,22,25)/t20-/m0/s1
InChIKeyPZBSZXHKYSQDGB-FQEVSTJZSA-N
MW412.40 g/mol
LogP2.50
Rot. Bonds7

About 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide

4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide (PubChem CID 9294657) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
PubChem CID9294657
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C20H20N4O6/c1-3-20(14-8-6-5-7-9-14)18(26)23(19(27)21-20)22-17(25)13-10-11-16(30-4-2)15(12-13)24(28)29/h5-12H,3-4H2,1-2H3,(H,21,27)(H,22,25)/t20-/m0/s1
InChIKeyPZBSZXHKYSQDGB-FQEVSTJZSA-N
XLogP2.50
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.50
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-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
CID 7603366
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide
CID 9293615
4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
CID 55735554
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24642473
5-ethyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylthiophene-2-carboxamide
CID 9294395
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684
4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)-3-nitrobenzamide
CID 5171483
[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8938097

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide (CID 9294657) is 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide is CCOc1ccc(C(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide?
The InChIKey is PZBSZXHKYSQDGB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-3-20(14-8-6-5-7-9-14)18(26)23(19(27)21-20)22-17(25)13-10-11-16(30-4-2)15(12-13)24(28)29/h5-12H,3-4H2,1-2H3,(H,21,27)(H,22,25)/t20-/m0/s1.
What are the key properties of 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide?
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide has a molecular weight of 412.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide is sourced from PubChem (CID 9294657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).