N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H28N2O2 — CID 2932661

IUPACN-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C18H28N2O2/c21-17(15-9-11-1-3-13(15)7-11)19-5-6-20-18(22)16-10-12-2-4-14(16)8-12/h11-16H,1-10H2,(H,19,21)(H,20,22)
InChIKeyQQLOJIMQTXJLTF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2932661) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2932661
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C18H28N2O2/c21-17(15-9-11-1-3-13(15)7-11)19-5-6-20-18(22)16-10-12-2-4-14(16)8-12/h11-16H,1-10H2,(H,19,21)(H,20,22)
InChIKeyQQLOJIMQTXJLTF-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 2932661) is N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QQLOJIMQTXJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-17(15-9-11-1-3-13(15)7-11)19-5-6-20-18(22)16-10-12-2-4-14(16)8-12/h11-16H,1-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2932661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).