6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide

C17H25N3O2 — CID 2226567

IUPAC6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
SMILESCc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)cc1
InChIInChI=1S/C17H25N3O2/c1-12-8-10-14(11-9-12)19-16(21)7-5-3-4-6-15-13(2)18-17(22)20-15/h8-11,13,15H,3-7H2,1-2H3,(H,19,21)(H2,18,20,22)/t13-,15+/m0/s1
InChIKeyTWUHJIAGJSKONL-DZGCQCFKSA-N
MW303.41 g/mol
LogP2.95
Rot. Bonds7

About 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide

6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide (PubChem CID 2226567) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
PubChem CID2226567
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
SMILESCc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)cc1
InChIInChI=1S/C17H25N3O2/c1-12-8-10-14(11-9-12)19-16(21)7-5-3-4-6-15-13(2)18-17(22)20-15/h8-11,13,15H,3-7H2,1-2H3,(H,19,21)(H2,18,20,22)/t13-,15+/m0/s1
InChIKeyTWUHJIAGJSKONL-DZGCQCFKSA-N
XLogP2.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide?
The IUPAC name of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide (CID 2226567) is 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide.
What is the SMILES notation for 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide?
The canonical SMILES for 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide is Cc1ccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)cc1.
What is the InChIKey of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide?
The InChIKey is TWUHJIAGJSKONL-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-8-10-14(11-9-12)19-16(21)7-5-3-4-6-15-13(2)18-17(22)20-15/h8-11,13,15H,3-7H2,1-2H3,(H,19,21)(H2,18,20,22)/t13-,15+/m0/s1.
What are the key properties of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide?
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide has a molecular weight of 303.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide is sourced from PubChem (CID 2226567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).