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

C19H18N4O6 — CID 43075508

IUPACN-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)NC(C)(c3cccc([N+](=O)[O-])c3)C2=O)c1
InChIInChI=1S/C19H18N4O6/c1-19(12-5-3-7-14(9-12)23(27)28)17(25)22(18(26)21-19)11-16(24)20-13-6-4-8-15(10-13)29-2/h3-10H,11H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyNDDATARWFUWJDQ-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.01
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 43075508) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID43075508
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)NC(C)(c3cccc([N+](=O)[O-])c3)C2=O)c1
InChIInChI=1S/C19H18N4O6/c1-19(12-5-3-7-14(9-12)23(27)28)17(25)22(18(26)21-19)11-16(24)20-13-6-4-8-15(10-13)29-2/h3-10H,11H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyNDDATARWFUWJDQ-UHFFFAOYSA-N
XLogP2.01
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.01
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

2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7988380
N-[2,6-di(propan-2-yl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075611
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 24654212
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 47092837
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075658
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 42982770
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585
N-(3-methoxyphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4306751
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55685063
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075672

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 43075508) is N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cccc(NC(=O)CN2C(=O)NC(C)(c3cccc([N+](=O)[O-])c3)C2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is NDDATARWFUWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-19(12-5-3-7-14(9-12)23(27)28)17(25)22(18(26)21-19)11-16(24)20-13-6-4-8-15(10-13)29-2/h3-10H,11H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 398.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 43075508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).