N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H19NO2 — CID 103801537

IUPACN-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H19NO2/c18-12-5-1-9(2-6-12)8-17-16(19)15-13-10-3-4-11(7-10)14(13)15/h1-2,5-6,10-11,13-15,18H,3-4,7-8H2,(H,17,19)
InChIKeyVBJDRSVCGMIHRH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.30
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103801537) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103801537
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H19NO2/c18-12-5-1-9(2-6-12)8-17-16(19)15-13-10-3-4-11(7-10)14(13)15/h1-2,5-6,10-11,13-15,18H,3-4,7-8H2,(H,17,19)
InChIKeyVBJDRSVCGMIHRH-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115681918
3-[[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]methyl]benzoic acid
CID 129435040
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 557216
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6470275
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
(1R,2S,3S,4S)-3-(benzylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 11859332
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-[4-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]phenyl]propanoic acid
CID 98870422
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761880
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103801537) is N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NCc1ccc(O)cc1)C1C2C3CCC(C3)C12.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is VBJDRSVCGMIHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-12-5-1-9(2-6-12)8-17-16(19)15-13-10-3-4-11(7-10)14(13)15/h1-2,5-6,10-11,13-15,18H,3-4,7-8H2,(H,17,19).
What are the key properties of N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103801537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).