6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen

C20H29NO — CID 142519943

IUPAC6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
SMILESCCC12CCC3(C(N)=O)CC(C1)CC(c1ccccc1)(C2)C3.[H][H]
InChIInChI=1S/C20H27NO.H2/c1-2-18-8-9-19(17(21)22)11-15(10-18)12-20(13-18,14-19)16-6-4-3-5-7-16;/h3-7,15H,2,8-14H2,1H3,(H2,21,22);1H
InChIKeyISYHDAZUSJZGQN-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.43
Rot. Bonds3

About 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen

6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen (PubChem CID 142519943) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
PubChem CID142519943
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
SMILESCCC12CCC3(C(N)=O)CC(C1)CC(c1ccccc1)(C2)C3.[H][H]
InChIInChI=1S/C20H27NO.H2/c1-2-18-8-9-19(17(21)22)11-15(10-18)12-20(13-18,14-19)16-6-4-3-5-7-16;/h3-7,15H,2,8-14H2,1H3,(H2,21,22);1H
InChIKeyISYHDAZUSJZGQN-UHFFFAOYSA-N
XLogP4.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen?
The IUPAC name of 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen (CID 142519943) is 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen?
The canonical SMILES for 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen is CCC12CCC3(C(N)=O)CC(C1)CC(c1ccccc1)(C2)C3.[H][H].
What is the InChIKey of 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen?
The InChIKey is ISYHDAZUSJZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO.H2/c1-2-18-8-9-19(17(21)22)11-15(10-18)12-20(13-18,14-19)16-6-4-3-5-7-16;/h3-7,15H,2,8-14H2,1H3,(H2,21,22);1H.
What are the key properties of 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen?
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen has a molecular weight of 299.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 142519943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).