CID 44729992
PubChem CID
44729992
Structure
Molecular Formula
Status
Non-live
Molecular Weight
449.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[(2,4-dimethylphenyl)methyl]-2-(2-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C27H35N3O3/c1-4-33-24-8-6-5-7-22(24)26(32)30-17-23(27(18-30)11-13-28-14-12-27)25(31)29-16-21-10-9-19(2)15-20(21)3/h5-10,15,23,28H,4,11-14,16-18H2,1-3H3,(H,29,31)
BAEWPDMIMHZVDW-UHFFFAOYSA-N
CCOC1=CC=CC=C1C(=O)N2CC(C3(C2)CCNCC3)C(=O)NCC4=C(C=C(C=C4)C)C
C27H35N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
449.6 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
449.26784199 g/mol
Property Name
Monoisotopic Mass
Property Value
449.26784199 g/mol
Property Name
Topological Polar Surface Area
Property Value
70.7 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
678
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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
CONTENTS