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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Related Compounds

(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
(3-ethyl-5-phenyl-1-adamantyl)methanamine
CID 142519813
(3R,5R)-N-(6-aminospiro[3.3]heptan-2-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 171762331
methyl 3-(hydroxymethyl)-5-phenyladamantane-1-carboxylate
CID 137424690
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(3S,5S)-3-ethyl-5-phenyl-1-adamantyl]ethanone
CID 157269484
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 137436159
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
CID 118038366
azane;deuterioethane;methane;3-phenyladamantane-1-carboxamide;3-phenyladamantane-1-carboxylic acid
CID 158928866
1-[(3S,5R)-3-(ethoxymethyl)-5-phenyl-1-adamantyl]-2-piperidin-4-ylethanone
CID 157309682
(3R)-N-[(3S)-3-fluoropiperidin-4-ylidene]-3-phenyl-5-propyladamantane-1-carboxamide
CID 137436065

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).