(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H19NO — CID 685768

IUPAC(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccccc1NC(=O)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H19NO/c1-9-4-2-3-5-12(9)17-16(18)15-13-10-6-7-11(8-10)14(13)15/h2-5,10-11,13-15H,6-8H2,1H3,(H,17,18)/t10-,11+,13+,14-,15?
InChIKeyTUVRGNJAIDJRMT-WRLLDKKHSA-N
MW241.33 g/mol
LogP3.23
Rot. Bonds2

About (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 685768) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID685768
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccccc1NC(=O)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H19NO/c1-9-4-2-3-5-12(9)17-16(18)15-13-10-6-7-11(8-10)14(13)15/h2-5,10-11,13-15H,6-8H2,1H3,(H,17,18)/t10-,11+,13+,14-,15?
InChIKeyTUVRGNJAIDJRMT-WRLLDKKHSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,3R,4S)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124581479
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
(1R,2R,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052094
(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052092
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
(1R,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124714769
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 685768) is (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1ccccc1NC(=O)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is TUVRGNJAIDJRMT-WRLLDKKHSA-N. The full InChI is InChI=1S/C16H19NO/c1-9-4-2-3-5-12(9)17-16(18)15-13-10-6-7-11(8-10)14(13)15/h2-5,10-11,13-15H,6-8H2,1H3,(H,17,18)/t10-,11+,13+,14-,15?.
What are the key properties of (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 685768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).