(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide

C19H25NO2 — CID 935322

IUPAC(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
SMILESCOc1ccc(NC(=O)C23CCC4C[C@H](C[C@H](C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-22-17-4-2-16(3-5-17)20-18(21)19-7-6-13-8-14(11-19)10-15(9-13)12-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)/t13?,14-,15+,19?
InChIKeyLNICCFUSYNLUIT-LVFIWVQCSA-N
MW299.41 g/mol
LogP4.24
Rot. Bonds3

About (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide

(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide (PubChem CID 935322) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide.

Molecular Properties

Compound Name(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
PubChem CID935322
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
SMILESCOc1ccc(NC(=O)C23CCC4C[C@H](C[C@H](C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-22-17-4-2-16(3-5-17)20-18(21)19-7-6-13-8-14(11-19)10-15(9-13)12-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)/t13?,14-,15+,19?
InChIKeyLNICCFUSYNLUIT-LVFIWVQCSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 2324307
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]adamantane-1-carboxamide
CID 24684576
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
(4-acetamidophenyl) adamantane-1-carboxylate
CID 51152656
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide?
The IUPAC name of (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide (CID 935322) is (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide.
What is the SMILES notation for (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide?
The canonical SMILES for (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide is COc1ccc(NC(=O)C23CCC4C[C@H](C[C@H](C4)C2)C3)cc1.
What is the InChIKey of (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide?
The InChIKey is LNICCFUSYNLUIT-LVFIWVQCSA-N. The full InChI is InChI=1S/C19H25NO2/c1-22-17-4-2-16(3-5-17)20-18(21)19-7-6-13-8-14(11-19)10-15(9-13)12-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)/t13?,14-,15+,19?.
What are the key properties of (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide?
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide is sourced from PubChem (CID 935322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).