N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

C15H19N3O3 — CID 139706856

IUPACN-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)N1CC2CNCC(C2)C1=O
InChIInChI=1S/C15H19N3O3/c19-13-3-1-10(2-4-13)7-17-15(21)18-9-11-5-12(14(18)20)8-16-6-11/h1-4,11-12,16,19H,5-9H2,(H,17,21)
InChIKeyKWWAJEHMBKZYBO-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.67
Rot. Bonds2

About N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 139706856) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID139706856
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)N1CC2CNCC(C2)C1=O
InChIInChI=1S/C15H19N3O3/c19-13-3-1-10(2-4-13)7-17-15(21)18-9-11-5-12(14(18)20)8-16-6-11/h1-4,11-12,16,19H,5-9H2,(H,17,21)
InChIKeyKWWAJEHMBKZYBO-UHFFFAOYSA-N
XLogP0.67
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (CID 139706856) is N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is O=C(NCc1ccc(O)cc1)N1CC2CNCC(C2)C1=O.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is KWWAJEHMBKZYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-13-3-1-10(2-4-13)7-17-15(21)18-9-11-5-12(14(18)20)8-16-6-11/h1-4,11-12,16,19H,5-9H2,(H,17,21).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 139706856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).