CID 25387824
PubChem CID
25387824
Structure
Molecular Formula
Status
Non-live
Molecular Weight
301.4 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-hydroxyphenyl)acetamide
InChI=1S/C18H23NO3/c20-15-4-2-1-3-14(15)19-16(21)10-17-6-12-5-13(7-17)9-18(22,8-12)11-17/h1-4,12-13,20,22H,5-11H2,(H,19,21)/t12-,13+,17?,18?
GJJLUPVJMCHPTO-NLKGSNSHSA-N
C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)NC4=CC=CC=C4O
C18H23NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
301.4 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
301.16779360 g/mol
Property Name
Monoisotopic Mass
Property Value
301.16779360 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.6 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
449
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS