N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

C18H27N3O2 — CID 4918593

IUPACN-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCc1cccc(C)c1NC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C18H27N3O2/c1-12-8-7-9-13(2)17(12)21-16(22)11-6-4-5-10-15-14(3)19-18(23)20-15/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyNRYDTMPYVQXREL-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.26
Rot. Bonds7

About N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (PubChem CID 4918593) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
PubChem CID4918593
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCc1cccc(C)c1NC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C18H27N3O2/c1-12-8-7-9-13(2)17(12)21-16(22)11-6-4-5-10-15-14(3)19-18(23)20-15/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyNRYDTMPYVQXREL-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.26
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 N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (CID 4918593) is N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is Cc1cccc(C)c1NC(=O)CCCCCC1NC(=O)NC1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The InChIKey is NRYDTMPYVQXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-8-7-9-13(2)17(12)21-16(22)11-6-4-5-10-15-14(3)19-18(23)20-15/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide has a molecular weight of 317.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is sourced from PubChem (CID 4918593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).