AOH1160

CAT: 0127-BUP14280-02Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP14280-02Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2089314-57-6

Synonyms

N- (2-Oxo-2- (2-phenoxyphenylamino) ethyl) -1-naphthamide

Purity

=98%

Smiles

C(NCC(NC1=C(OC2=CC=CC=C2)C=CC=C1)=O)(=O)C=3C4=C(C=CC3)C=CC=C4

Chemical Information

N-(2-Oxo-2-(2-phenoxyphenylamino)ethyl)-1-naphthamide

CAS Number	2089314-57-6
PubChem CID	126718383
IUPAC Name	N-[2-oxo-2-(2-phenoxyanilino)ethyl]naphthalene-1-carboxamide
Molecular Formula	C25H20N2O3
Molecular Weight	396.4
XLogP	4.9
Topological Polar Surface Area	67.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	575

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H20N2O3/c28-24(17-26-25(29)21-14-8-10-18-9-4-5-13-20(18)21)27-22-15-6-7-16-23(22)30-19-11-2-1-3-12-19/h1-16H,17H2,(H,26,29)(H,27,28)

InChIKey

COPRLRLXDBSLET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2089314-57-6

CID: 126718383

Formula: C25H20N2O3

MW: 396.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	396.14739250
Monoisotopic Mass	396.14739250
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	575
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes