3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide

C14H16N4O3 — CID 121159564

IUPAC3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(N3C(=O)CNC3=O)C2)c1
InChIInChI=1S/C14H16N4O3/c1-9-3-2-4-10(5-9)16-14(21)17-7-11(8-17)18-12(19)6-15-13(18)20/h2-5,11H,6-8H2,1H3,(H,15,20)(H,16,21)
InChIKeyORTFEYFIZPVKMX-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.76
Rot. Bonds2

About 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide

3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide (PubChem CID 121159564) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
PubChem CID121159564
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(N3C(=O)CNC3=O)C2)c1
InChIInChI=1S/C14H16N4O3/c1-9-3-2-4-10(5-9)16-14(21)17-7-11(8-17)18-12(19)6-15-13(18)20/h2-5,11H,6-8H2,1H3,(H,15,20)(H,16,21)
InChIKeyORTFEYFIZPVKMX-UHFFFAOYSA-N
XLogP0.76
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882
N-(3-methylphenyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 62896707
3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139973
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3S,5R)-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 118367246
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
CID 71380614

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide (CID 121159564) is 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide is Cc1cccc(NC(=O)N2CC(N3C(=O)CNC3=O)C2)c1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
The InChIKey is ORTFEYFIZPVKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-3-2-4-10(5-9)16-14(21)17-7-11(8-17)18-12(19)6-15-13(18)20/h2-5,11H,6-8H2,1H3,(H,15,20)(H,16,21).
What are the key properties of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121159564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).