N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide

C16H27NO — CID 3597650

IUPACN-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-15(2,3)17-14(18)16-8-11-4-5-12(9-16)7-13(6-11)10-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyGQVAVCMUBAPBDP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds1

About N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide

N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide (PubChem CID 3597650) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide
PubChem CID3597650
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-15(2,3)17-14(18)16-8-11-4-5-12(9-16)7-13(6-11)10-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyGQVAVCMUBAPBDP-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide?
The IUPAC name of N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide (CID 3597650) is N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide.
What is the SMILES notation for N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide?
The canonical SMILES for N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide is CC(C)(C)NC(=O)C12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide?
The InChIKey is GQVAVCMUBAPBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)17-14(18)16-8-11-4-5-12(9-16)7-13(6-11)10-16/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide?
N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyltricyclo[4.3.1.13,8]undecane-1-carboxamide is sourced from PubChem (CID 3597650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).