N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

C18H27N3O2 — CID 4916632

IUPACN-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCCc1cccc(NC(=O)CCCCCC2NC(=O)NC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-14-8-7-9-15(12-14)20-17(22)11-6-4-5-10-16-13(2)19-18(23)21-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyLCMCFIMDFHOMQO-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.21
Rot. Bonds8

About N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (PubChem CID 4916632) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
PubChem CID4916632
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCCc1cccc(NC(=O)CCCCCC2NC(=O)NC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-14-8-7-9-15(12-14)20-17(22)11-6-4-5-10-16-13(2)19-18(23)21-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyLCMCFIMDFHOMQO-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.21
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-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The IUPAC name of N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (CID 4916632) is N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.
What is the SMILES notation for N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The canonical SMILES for N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is CCc1cccc(NC(=O)CCCCCC2NC(=O)NC2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The InChIKey is LCMCFIMDFHOMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-14-8-7-9-15(12-14)20-17(22)11-6-4-5-10-16-13(2)19-18(23)21-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide has a molecular weight of 317.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is sourced from PubChem (CID 4916632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).