Chemical ID: 4509603

c1ccc(cc1)NC(=O)CCN2CCOCC2
Chemical ID:
4509603
Name [?]:
3-morpholino-N-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)NC(=O)CCN2CCOCC2
InChi [?]:
InChI=1/C13H18N2O2/c16-13(14-12-4-2-1-3-5-12)6-7-15-8-10-17-11-9-15/h1-5H,6-11H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,11,13,17,14,16,4,8,7,12,9,15/E:(2,3)(4,5)(8,9)(10,11)/rA:17nCCCCCCNCOCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.18879
Area:429.557
Solvation:-3.55014
Coulombic:-33.2008
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.294
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.56
LogP (Chemaxon):1.08

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Descriptor Annotations

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