4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide

C19H18N4O6 — CID 55735554

IUPAC4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18N4O6/c1-3-29-15-8-7-11(9-14(15)23(27)28)16(24)20-13-6-4-5-12(10-13)19(2)17(25)21-18(26)22-19/h4-10H,3H2,1-2H3,(H,20,24)(H2,21,22,25,26)
InChIKeyVMVIBDIREUUGTM-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.30
Rot. Bonds6

About 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide

4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide (PubChem CID 55735554) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
PubChem CID55735554
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18N4O6/c1-3-29-15-8-7-11(9-14(15)23(27)28)16(24)20-13-6-4-5-12(10-13)19(2)17(25)21-18(26)22-19/h4-10H,3H2,1-2H3,(H,20,24)(H2,21,22,25,26)
InChIKeyVMVIBDIREUUGTM-UHFFFAOYSA-N
XLogP2.30
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
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

4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
CID 55735610
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]-4-ethoxy-3-nitrobenzamide
CID 1095405
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)-3-nitrobenzamide
CID 5171483
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide (CID 55735554) is 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide is CCOc1ccc(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide?
The InChIKey is VMVIBDIREUUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-3-29-15-8-7-11(9-14(15)23(27)28)16(24)20-13-6-4-5-12(10-13)19(2)17(25)21-18(26)22-19/h4-10H,3H2,1-2H3,(H,20,24)(H2,21,22,25,26).
What are the key properties of 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide?
4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide has a molecular weight of 398.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 55735554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).