4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)

C18H28N3O2Rb — CID 171640058

IUPAC4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
SMILESCC(C)CCCNC(=O)c1ccc(C(=O)NCCCC[NH-])cc1.[Rb+]
InChIInChI=1S/C18H28N3O2.Rb/c1-14(2)6-5-13-21-18(23)16-9-7-15(8-10-16)17(22)20-12-4-3-11-19;/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,20,22)(H,21,23);/q-1;+1
InChIKeyUWJIVUBRKBXNHK-UHFFFAOYSA-N
MW403.91 g/mol
LogP0.42
Rot. Bonds10

About 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)

4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+) (PubChem CID 171640058) has the molecular formula C18H28N3O2Rb and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+).

Molecular Properties

Compound Name4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
PubChem CID171640058
Molecular FormulaC18H28N3O2Rb
Molecular Weight403.91 g/mol
Exact Mass403.13
IUPAC Name4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
SMILESCC(C)CCCNC(=O)c1ccc(C(=O)NCCCC[NH-])cc1.[Rb+]
InChIInChI=1S/C18H28N3O2.Rb/c1-14(2)6-5-13-21-18(23)16-9-7-15(8-10-16)17(22)20-12-4-3-11-19;/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,20,22)(H,21,23);/q-1;+1
InChIKeyUWJIVUBRKBXNHK-UHFFFAOYSA-N
XLogP0.42
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(6-methylheptyl)benzamide
CID 22753103
4-[hydroxy(dimethyl)silyl]-N-(4-methylpentyl)benzamide
CID 157299766
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
N-(4-methylpentyl)-6-propan-2-ylpyridine-3-carboxamide
CID 158554805
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-butyl-4-[[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111943456
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)?
The IUPAC name of 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+) (CID 171640058) is 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+).
What is the SMILES notation for 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)?
The canonical SMILES for 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+) is CC(C)CCCNC(=O)c1ccc(C(=O)NCCCC[NH-])cc1.[Rb+].
What is the InChIKey of 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)?
The InChIKey is UWJIVUBRKBXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N3O2.Rb/c1-14(2)6-5-13-21-18(23)16-9-7-15(8-10-16)17(22)20-12-4-3-11-19;/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,20,22)(H,21,23);/q-1;+1.
What are the key properties of 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)?
4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+) has a molecular weight of 403.91 g/mol, XLogP of 0.42, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+) is sourced from PubChem (CID 171640058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).