N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H23N3O3 — CID 2704236

IUPACN-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-12(2)9-14-16(22)20(17(23)18-14)11-15(21)19(3)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,23)/t14-/m0/s1
InChIKeyGFVAJISLVQAOAV-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.61
Rot. Bonds6

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

N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2704236) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2704236
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-12(2)9-14-16(22)20(17(23)18-14)11-15(21)19(3)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,23)/t14-/m0/s1
InChIKeyGFVAJISLVQAOAV-AWEZNQCLSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.61
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

2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 42988064
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 51867023
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 24658769
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 97061444
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
N,N-dimethyl-4-[[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 24605915
3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
CID 142133732
N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2462867
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2704236) is N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)C[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is GFVAJISLVQAOAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)9-14-16(22)20(17(23)18-14)11-15(21)19(3)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2704236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).