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Chemical ID: 5874520

c1ccc(cc1)Oc2cccc(c2)CN(CCCN3CCOCC3)C(=O)c4ccco4

Chemical ID:

5874520

Name [?]:

N-(3-morpholinopropyl)-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide

SMILES [?]:

c1ccc(cc1)Oc2cccc(c2)CN(CCCN3CCOCC3)C(=O)c4ccco4

InChi [?]:

InChI=1/C25H28N2O4/c28-25(24-11-5-16-30-24)27(13-6-12-26-14-17-29-18-15-26)20-21-7-4-10-23(19-21)31-22-8-2-1-3-9-22/h1-5,7-11,16,19H,6,12-15,17-18,20H2

InChi Info:

AuxInfo=1/0/N:1,2,6,10,29,17,11,3,5,9,28,18,16,20,24,30,21,23,13,14,12,4,8,27,25,19,15,26,22,31,7/E:(2,3)(8,9)(14,15)(17,18)/rA:31nCCCCCCOCCCCCCCNCCCNCCOCCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;s15;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5925
Area:	653.217
Solvation:	-4.7379
Coulombic:	-48.9155

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	420.501
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.27
LogP (Chemaxon):	3.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value