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

C16H19NO — CID 98126766

IUPAC(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccc(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1
InChIInChI=1S/C16H19NO/c1-9-2-6-12(7-3-9)17-16(18)15-13-10-4-5-11(8-10)14(13)15/h2-3,6-7,10-11,13-15H,4-5,8H2,1H3,(H,17,18)/t10-,11-,13-,14+,15?/m1/s1
InChIKeyBVMNGBCXLDPFQF-RDVBPZLGSA-N
MW241.33 g/mol
LogP3.23
Rot. Bonds2

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

(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98126766) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98126766
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccc(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1
InChIInChI=1S/C16H19NO/c1-9-2-6-12(7-3-9)17-16(18)15-13-10-4-5-11(8-10)14(13)15/h2-3,6-7,10-11,13-15H,4-5,8H2,1H3,(H,17,18)/t10-,11-,13-,14+,15?/m1/s1
InChIKeyBVMNGBCXLDPFQF-RDVBPZLGSA-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,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
S-[4-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)phenyl] N,N-dimethylcarbamothioate
CID 102559631
3-[4-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]phenyl]propanoic acid
CID 98870422
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,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98126766) is (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1ccc(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1.
What is the InChIKey of (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is BVMNGBCXLDPFQF-RDVBPZLGSA-N. The full InChI is InChI=1S/C16H19NO/c1-9-2-6-12(7-3-9)17-16(18)15-13-10-4-5-11(8-10)14(13)15/h2-3,6-7,10-11,13-15H,4-5,8H2,1H3,(H,17,18)/t10-,11-,13-,14+,15?/m1/s1.
What are the key properties of (1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4R,5R)-N-(4-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,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98126766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).