N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide

C18H21N3O3 — CID 128670770

IUPACN-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
SMILESCC1(NC(=O)c2cccc(C3(C)NC(=O)NC3=O)c2)CC=CCC1
InChIInChI=1S/C18H21N3O3/c1-17(9-4-3-5-10-17)20-14(22)12-7-6-8-13(11-12)18(2)15(23)19-16(24)21-18/h3-4,6-8,11H,5,9-10H2,1-2H3,(H,20,22)(H2,19,21,23,24)
InChIKeyOGIYBCQWFOZLPG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.97
Rot. Bonds3

About N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide

N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide (PubChem CID 128670770) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
PubChem CID128670770
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
SMILESCC1(NC(=O)c2cccc(C3(C)NC(=O)NC3=O)c2)CC=CCC1
InChIInChI=1S/C18H21N3O3/c1-17(9-4-3-5-10-17)20-14(22)12-7-6-8-13(11-12)18(2)15(23)19-16(24)21-18/h3-4,6-8,11H,5,9-10H2,1-2H3,(H,20,22)(H2,19,21,23,24)
InChIKeyOGIYBCQWFOZLPG-UHFFFAOYSA-N
XLogP1.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
The IUPAC name of N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide (CID 128670770) is N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide.
What is the SMILES notation for N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
The canonical SMILES for N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide is CC1(NC(=O)c2cccc(C3(C)NC(=O)NC3=O)c2)CC=CCC1.
What is the InChIKey of N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
The InChIKey is OGIYBCQWFOZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-17(9-4-3-5-10-17)20-14(22)12-7-6-8-13(11-12)18(2)15(23)19-16(24)21-18/h3-4,6-8,11H,5,9-10H2,1-2H3,(H,20,22)(H2,19,21,23,24).
What are the key properties of N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide is sourced from PubChem (CID 128670770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).