3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide

C16H19N3O4 — CID 138044244

IUPAC3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1(c2cccc(C(=O)NCC3CCCO3)c2)NC(=O)NC1=O
InChIInChI=1S/C16H19N3O4/c1-16(14(21)18-15(22)19-16)11-5-2-4-10(8-11)13(20)17-9-12-6-3-7-23-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyPWPKYGDVXDTMAV-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.65
Rot. Bonds4

About 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide

3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 138044244) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID138044244
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1(c2cccc(C(=O)NCC3CCCO3)c2)NC(=O)NC1=O
InChIInChI=1S/C16H19N3O4/c1-16(14(21)18-15(22)19-16)11-5-2-4-10(8-11)13(20)17-9-12-6-3-7-23-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyPWPKYGDVXDTMAV-UHFFFAOYSA-N
XLogP0.65
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 70134938
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 138044244) is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide is CC1(c2cccc(C(=O)NCC3CCCO3)c2)NC(=O)NC1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is PWPKYGDVXDTMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(14(21)18-15(22)19-16)11-5-2-4-10(8-11)13(20)17-9-12-6-3-7-23-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide?
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 317.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 138044244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).