N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide

C14H23NO — CID 42910304

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C1CC2CCC1C2
InChIInChI=1S/C14H23NO/c1-9(15-14(16)11-3-2-4-11)13-8-10-5-6-12(13)7-10/h9-13H,2-8H2,1H3,(H,15,16)
InChIKeyJNHOBKBZGZEFPQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide (PubChem CID 42910304) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide
PubChem CID42910304
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C1CC2CCC1C2
InChIInChI=1S/C14H23NO/c1-9(15-14(16)11-3-2-4-11)13-8-10-5-6-12(13)7-10/h9-13H,2-8H2,1H3,(H,15,16)
InChIKeyJNHOBKBZGZEFPQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide (CID 42910304) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide?
The InChIKey is JNHOBKBZGZEFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(15-14(16)11-3-2-4-11)13-8-10-5-6-12(13)7-10/h9-13H,2-8H2,1H3,(H,15,16).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 42910304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).