N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide

C18H16N4O6 — CID 55722650

IUPACN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESCC1(c2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C18H16N4O6/c1-18(16(24)20-17(25)21-18)11-5-4-6-12(9-11)19-15(23)10-28-14-8-3-2-7-13(14)22(26)27/h2-9H,10H2,1H3,(H,19,23)(H2,20,21,24,25)
InChIKeyAYEPMMGOUAEICG-UHFFFAOYSA-N
MW384.35 g/mol
LogP1.67
Rot. Bonds6

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

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 55722650) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID55722650
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESCC1(c2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C18H16N4O6/c1-18(16(24)20-17(25)21-18)11-5-4-6-12(9-11)19-15(23)10-28-14-8-3-2-7-13(14)22(26)27/h2-9H,10H2,1H3,(H,19,23)(H2,20,21,24,25)
InChIKeyAYEPMMGOUAEICG-UHFFFAOYSA-N
XLogP1.67
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 51.67
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

N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55825534
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide (CID 55722650) is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide is CC1(c2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is AYEPMMGOUAEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-18(16(24)20-17(25)21-18)11-5-4-6-12(9-11)19-15(23)10-28-14-8-3-2-7-13(14)22(26)27/h2-9H,10H2,1H3,(H,19,23)(H2,20,21,24,25).
What are the key properties of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 384.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 55722650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).