3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide

C18H23N3O3 — CID 86883330

IUPAC3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2C(=O)CN(C3CC3)C2=O)c1
InChIInChI=1S/C18H23N3O3/c1-12(2)9-19-17(23)14-5-3-4-13(8-14)10-21-16(22)11-20(18(21)24)15-6-7-15/h3-5,8,12,15H,6-7,9-11H2,1-2H3,(H,19,23)
InChIKeyURIAQMSZCDUUEE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds6

About 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide

3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 86883330) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID86883330
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2C(=O)CN(C3CC3)C2=O)c1
InChIInChI=1S/C18H23N3O3/c1-12(2)9-19-17(23)14-5-3-4-13(8-14)10-21-16(22)11-20(18(21)24)15-6-7-15/h3-5,8,12,15H,6-7,9-11H2,1-2H3,(H,19,23)
InChIKeyURIAQMSZCDUUEE-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 167942155
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 126806827
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654281
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
3-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-N-(2-methylpropyl)benzamide
CID 136518363
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N-(2-methylpropyl)-3-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)methyl]benzamide
CID 126791495

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 86883330) is 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CN2C(=O)CN(C3CC3)C2=O)c1.
What is the InChIKey of 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is URIAQMSZCDUUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)9-19-17(23)14-5-3-4-13(8-14)10-21-16(22)11-20(18(21)24)15-6-7-15/h3-5,8,12,15H,6-7,9-11H2,1-2H3,(H,19,23).
What are the key properties of 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 86883330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).