N-benzylazonane-1-carboxamide

C16H24N2O — CID 130689649

IUPACN-benzylazonane-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCCCCCC1
InChIInChI=1S/C16H24N2O/c19-16(17-14-15-10-6-5-7-11-15)18-12-8-3-1-2-4-9-13-18/h5-7,10-11H,1-4,8-9,12-14H2,(H,17,19)
InChIKeyXFMHINXPIUZSFN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds2

About N-benzylazonane-1-carboxamide

N-benzylazonane-1-carboxamide (PubChem CID 130689649) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-benzylazonane-1-carboxamide.

Molecular Properties

Compound NameN-benzylazonane-1-carboxamide
PubChem CID130689649
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-benzylazonane-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCCCCCC1
InChIInChI=1S/C16H24N2O/c19-16(17-14-15-10-6-5-7-11-15)18-12-8-3-1-2-4-9-13-18/h5-7,10-11H,1-4,8-9,12-14H2,(H,17,19)
InChIKeyXFMHINXPIUZSFN-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzylazonane-1-carboxamide?
The IUPAC name of N-benzylazonane-1-carboxamide (CID 130689649) is N-benzylazonane-1-carboxamide.
What is the SMILES notation for N-benzylazonane-1-carboxamide?
The canonical SMILES for N-benzylazonane-1-carboxamide is O=C(NCc1ccccc1)N1CCCCCCCC1.
What is the InChIKey of N-benzylazonane-1-carboxamide?
The InChIKey is XFMHINXPIUZSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(17-14-15-10-6-5-7-11-15)18-12-8-3-1-2-4-9-13-18/h5-7,10-11H,1-4,8-9,12-14H2,(H,17,19).
What are the key properties of N-benzylazonane-1-carboxamide?
N-benzylazonane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylazonane-1-carboxamide is sourced from PubChem (CID 130689649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).