N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide

C14H18N2O3 — CID 107690219

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1c(O)cccc1O
InChIInChI=1S/C14H18N2O3/c17-11-2-1-3-12(18)13(11)14(19)16-10-6-8-4-5-9(7-10)15-8/h1-3,8-10,15,17-18H,4-7H2,(H,16,19)
InChIKeyOVLQEKDMDYCFDU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.11
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide (PubChem CID 107690219) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
PubChem CID107690219
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1c(O)cccc1O
InChIInChI=1S/C14H18N2O3/c17-11-2-1-3-12(18)13(11)14(19)16-10-6-8-4-5-9(7-10)15-8/h1-3,8-10,15,17-18H,4-7H2,(H,16,19)
InChIKeyOVLQEKDMDYCFDU-UHFFFAOYSA-N
XLogP1.11
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
CID 103890634
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide (CID 107690219) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide is O=C(NC1CC2CCC(C1)N2)c1c(O)cccc1O.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide?
The InChIKey is OVLQEKDMDYCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-11-2-1-3-12(18)13(11)14(19)16-10-6-8-4-5-9(7-10)15-8/h1-3,8-10,15,17-18H,4-7H2,(H,16,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide has a molecular weight of 262.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107690219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).