4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

C15H19N3O3 — CID 40988261

IUPAC4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCC(C)C[C@@H]1NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-9(2)7-12-14(20)18(15(21)17-12)8-10-3-5-11(6-4-10)13(16)19/h3-6,9,12H,7-8H2,1-2H3,(H2,16,19)(H,17,21)/t12-/m0/s1
InChIKeyXEPYHYDYJHJNMI-LBPRGKRZSA-N
MW289.34 g/mol
LogP1.25
Rot. Bonds5

About 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 40988261) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
PubChem CID40988261
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCC(C)C[C@@H]1NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-9(2)7-12-14(20)18(15(21)17-12)8-10-3-5-11(6-4-10)13(16)19/h3-6,9,12H,7-8H2,1-2H3,(H2,16,19)(H,17,21)/t12-/m0/s1
InChIKeyXEPYHYDYJHJNMI-LBPRGKRZSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.25
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

Ethotoin
CID 3292
Mephenytoin
CID 4060
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
Methetoin
CID 21908
3-(N-(phthalimidomethyl)amino)-5-ethyl-6-methylpyridin-2-(1H)-one
CID 126764
2-{[(6-methyl-2-oxo-5-propyl-1,2-dihydropyridin-3-yl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 464262
2-{[(5-butyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 464263
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N-(2-(Diethylamino)ethyl)benzamide
CID 19400
N-(2-(Dimethylamino)ethyl)benzamide
CID 113158

Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (CID 40988261) is 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is CC(C)C[C@@H]1NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is XEPYHYDYJHJNMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)7-12-14(20)18(15(21)17-12)8-10-3-5-11(6-4-10)13(16)19/h3-6,9,12H,7-8H2,1-2H3,(H2,16,19)(H,17,21)/t12-/m0/s1.
What are the key properties of 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 40988261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).