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

C17H21NO — CID 98189669

IUPAC(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)c1
InChIInChI=1S/C17H21NO/c1-9-5-10(2)7-13(6-9)18-17(19)16-14-11-3-4-12(8-11)15(14)16/h5-7,11-12,14-16H,3-4,8H2,1-2H3,(H,18,19)/t11-,12-,14+,15+/m1/s1
InChIKeyVPKFJWHZOJMBQE-UXOAXIEHSA-N
MW255.36 g/mol
LogP3.53
Rot. Bonds2

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

(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98189669) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98189669
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)c1
InChIInChI=1S/C17H21NO/c1-9-5-10(2)7-13(6-9)18-17(19)16-14-11-3-4-12(8-11)15(14)16/h5-7,11-12,14-16H,3-4,8H2,1-2H3,(H,18,19)/t11-,12-,14+,15+/m1/s1
InChIKeyVPKFJWHZOJMBQE-UXOAXIEHSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
N-(4-bromo-2,6-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760710
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102979561
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98189669) is (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1cc(C)cc(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)c1.
What is the InChIKey of (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is VPKFJWHZOJMBQE-UXOAXIEHSA-N. The full InChI is InChI=1S/C17H21NO/c1-9-5-10(2)7-13(6-9)18-17(19)16-14-11-3-4-12(8-11)15(14)16/h5-7,11-12,14-16H,3-4,8H2,1-2H3,(H,18,19)/t11-,12-,14+,15+/m1/s1.
What are the key properties of (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98189669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).