N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C14H18N2O3 — CID 102695453

IUPACN-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(O)c(NC(=O)C2CC3CCC2N3)c1
InChIInChI=1S/C14H18N2O3/c1-19-9-3-5-13(17)12(7-9)16-14(18)10-6-8-2-4-11(10)15-8/h3,5,7-8,10-11,15,17H,2,4,6H2,1H3,(H,16,18)
InChIKeyZATLYAQDELDAFW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds3

About N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 102695453) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID102695453
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(O)c(NC(=O)C2CC3CCC2N3)c1
InChIInChI=1S/C14H18N2O3/c1-19-9-3-5-13(17)12(7-9)16-14(18)10-6-8-2-4-11(10)15-8/h3,5,7-8,10-11,15,17H,2,4,6H2,1H3,(H,16,18)
InChIKeyZATLYAQDELDAFW-UHFFFAOYSA-N
XLogP1.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81373141
N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103808813
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461
N-(2,5-dimethyl-4-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103145425
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107805027
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81388024
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 102695453) is N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(O)c(NC(=O)C2CC3CCC2N3)c1.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZATLYAQDELDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-9-3-5-13(17)12(7-9)16-14(18)10-6-8-2-4-11(10)15-8/h3,5,7-8,10-11,15,17H,2,4,6H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 102695453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).