(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide

C19H25NO — CID 762997

IUPAC(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCc1ccc(NC(=O)C23CC4C[C@@H](CC[C@@H](C4)C2)C3)cc1
InChIInChI=1S/C19H25NO/c1-13-2-6-17(7-3-13)20-18(21)19-10-14-4-5-15(11-19)9-16(8-14)12-19/h2-3,6-7,14-16H,4-5,8-12H2,1H3,(H,20,21)/t14-,15+,16?,19?
InChIKeyHBZDBGIXANRMFE-JOUKPKRSSA-N
MW283.42 g/mol
LogP4.54
Rot. Bonds2

About (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide

(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide (PubChem CID 762997) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
PubChem CID762997
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
SMILESCc1ccc(NC(=O)C23CC4C[C@@H](CC[C@@H](C4)C2)C3)cc1
InChIInChI=1S/C19H25NO/c1-13-2-6-17(7-3-13)20-18(21)19-10-14-4-5-15(11-19)9-16(8-14)12-19/h2-3,6-7,14-16H,4-5,8-12H2,1H3,(H,20,21)/t14-,15+,16?,19?
InChIKeyHBZDBGIXANRMFE-JOUKPKRSSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122297677
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 9455070
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
(3S,6S)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 98161355

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The IUPAC name of (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide (CID 762997) is (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide.
What is the SMILES notation for (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The canonical SMILES for (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide is Cc1ccc(NC(=O)C23CC4C[C@@H](CC[C@@H](C4)C2)C3)cc1.
What is the InChIKey of (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
The InChIKey is HBZDBGIXANRMFE-JOUKPKRSSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-2-6-17(7-3-13)20-18(21)19-10-14-4-5-15(11-19)9-16(8-14)12-19/h2-3,6-7,14-16H,4-5,8-12H2,1H3,(H,20,21)/t14-,15+,16?,19?.
What are the key properties of (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide?
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide is sourced from PubChem (CID 762997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).