N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide

C17H27N3O — CID 62512835

IUPACN-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide
SMILESCCC(NC(=O)c1cc(C)ccc1NN)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-3-15(13-7-5-4-6-8-13)19-17(21)14-11-12(2)9-10-16(14)20-18/h9-11,13,15,20H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyIKRBLSWNPCKPPN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.37
Rot. Bonds5

About N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide

N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 62512835) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID62512835
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide
SMILESCCC(NC(=O)c1cc(C)ccc1NN)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-3-15(13-7-5-4-6-8-13)19-17(21)14-11-12(2)9-10-16(14)20-18/h9-11,13,15,20H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyIKRBLSWNPCKPPN-UHFFFAOYSA-N
XLogP3.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide (CID 62512835) is N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide is CCC(NC(=O)c1cc(C)ccc1NN)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is IKRBLSWNPCKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15(13-7-5-4-6-8-13)19-17(21)14-11-12(2)9-10-16(14)20-18/h9-11,13,15,20H,3-8,18H2,1-2H3,(H,19,21).
What are the key properties of N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide?
N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62512835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).