N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide

C16H21NO3 — CID 107728501

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H21NO3/c1-17(9-13-7-10-2-3-11(13)6-10)16(20)12-4-5-14(18)15(19)8-12/h4-5,8,10-11,13,18-19H,2-3,6-7,9H2,1H3
InChIKeyOFYDISFKMPHDGF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.61
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide (PubChem CID 107728501) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
PubChem CID107728501
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H21NO3/c1-17(9-13-7-10-2-3-11(13)6-10)16(20)12-4-5-14(18)15(19)8-12/h4-5,8,10-11,13,18-19H,2-3,6-7,9H2,1H3
InChIKeyOFYDISFKMPHDGF-UHFFFAOYSA-N
XLogP2.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 63686503
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide
CID 63685756
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide (CID 107728501) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide is CN(CC1CC2CCC1C2)C(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide?
The InChIKey is OFYDISFKMPHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(9-13-7-10-2-3-11(13)6-10)16(20)12-4-5-14(18)15(19)8-12/h4-5,8,10-11,13,18-19H,2-3,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107728501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).