N-octylbicyclo[2.2.1]heptane-2-carboxamide

C16H29NO — CID 603656

IUPACN-octylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-10-17-16(18)15-12-13-8-9-14(15)11-13/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyVRXPEUSEHLITSD-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.90
Rot. Bonds8

About N-octylbicyclo[2.2.1]heptane-2-carboxamide

N-octylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 603656) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-octylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-octylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID603656
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-octylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCCCCCNC(=O)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-10-17-16(18)15-12-13-8-9-14(15)11-13/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyVRXPEUSEHLITSD-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-octylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-octylbicyclo[2.2.1]heptane-2-carboxamide (CID 603656) is N-octylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-octylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-octylbicyclo[2.2.1]heptane-2-carboxamide is CCCCCCCCNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-octylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VRXPEUSEHLITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-7-10-17-16(18)15-12-13-8-9-14(15)11-13/h13-15H,2-12H2,1H3,(H,17,18).
What are the key properties of N-octylbicyclo[2.2.1]heptane-2-carboxamide?
N-octylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 603656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).