2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide

C17H20N4O6 — CID 7738270

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)C1=O
InChIInChI=1S/C17H20N4O6/c1-4-5-8-19-15(23)16(24)20(17(19)25)9-13(22)18-14-11(3)10(2)6-7-12(14)21(26)27/h6-7H,4-5,8-9H2,1-3H3,(H,18,22)
InChIKeyDCONXEDSBRFNFJ-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.74
Rot. Bonds7

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide (PubChem CID 7738270) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
PubChem CID7738270
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)C1=O
InChIInChI=1S/C17H20N4O6/c1-4-5-8-19-15(23)16(24)20(17(19)25)9-13(22)18-14-11(3)10(2)6-7-12(14)21(26)27/h6-7H,4-5,8-9H2,1-3H3,(H,18,22)
InChIKeyDCONXEDSBRFNFJ-UHFFFAOYSA-N
XLogP1.74
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7951960
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 3594113
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2489578
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179163
ethyl 4-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8543800
N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7169987
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7898424
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 11931486
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide (CID 7738270) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The InChIKey is DCONXEDSBRFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6/c1-4-5-8-19-15(23)16(24)20(17(19)25)9-13(22)18-14-11(3)10(2)6-7-12(14)21(26)27/h6-7H,4-5,8-9H2,1-3H3,(H,18,22).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide has a molecular weight of 376.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 7738270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).