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

C16H19NO2 — CID 98052092

IUPAC(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H19NO2/c1-19-12-5-3-2-4-11(12)17-16(18)15-13-9-6-7-10(8-9)14(13)15/h2-5,9-10,13-15H,6-8H2,1H3,(H,17,18)/t9-,10-,13-,14+,15?/m1/s1
InChIKeyKJGYHSSEUUSQCB-UGBNMFKLSA-N
MW257.33 g/mol
LogP2.93
Rot. Bonds3

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

(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98052092) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98052092
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H19NO2/c1-19-12-5-3-2-4-11(12)17-16(18)15-13-9-6-7-10(8-9)14(13)15/h2-5,9-10,13-15H,6-8H2,1H3,(H,17,18)/t9-,10-,13-,14+,15?/m1/s1
InChIKeyKJGYHSSEUUSQCB-UGBNMFKLSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1R,2R,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052094
(1S,2S,3S,4R)-3-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40636116
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
(1R,2S,3S,4S)-3-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 727817
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
(1R,2S,3R,4S)-3-[(2-methoxyphenyl)carbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxylic acid
CID 123153497
(15S,16S)-N-(2-methoxyphenyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1107913
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98052092) is (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is COc1ccccc1NC(=O)C1[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is KJGYHSSEUUSQCB-UGBNMFKLSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-12-5-3-2-4-11(12)17-16(18)15-13-9-6-7-10(8-9)14(13)15/h2-5,9-10,13-15H,6-8H2,1H3,(H,17,18)/t9-,10-,13-,14+,15?/m1/s1.
What are the key properties of (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98052092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).