N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H19NO2 — CID 103820530

IUPACN-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H19NO2/c1-8-6-11(18)4-5-12(8)17-16(19)15-13-9-2-3-10(7-9)14(13)15/h4-6,9-10,13-15,18H,2-3,7H2,1H3,(H,17,19)
InChIKeyIIQDZDDFGBGBKC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.93
Rot. Bonds2

About N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103820530) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103820530
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H19NO2/c1-8-6-11(18)4-5-12(8)17-16(19)15-13-9-2-3-10(7-9)14(13)15/h4-6,9-10,13-15,18H,2-3,7H2,1H3,(H,17,19)
InChIKeyIIQDZDDFGBGBKC-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
(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
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
(1S,2S,3S,4S)-3-[(4-fluoro-2-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18558014
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
(1S,2S,3S,4R)-3-acetamido-N-[2-methyl-4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171679564
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
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 N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103820530) is N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1cc(O)ccc1NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is IIQDZDDFGBGBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-8-6-11(18)4-5-12(8)17-16(19)15-13-9-2-3-10(7-9)14(13)15/h4-6,9-10,13-15,18H,2-3,7H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103820530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).