Chemical ID: 6041904

CCCCNC(=O)CCCN1c2ccccc2OCC1=O
Chemical ID:
6041904
Name [?]:
N-butyl-4-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCCCNC(=O)CCCN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C16H22N2O3/c1-2-3-10-17-15(19)9-6-11-18-13-7-4-5-8-14(13)21-12-16(18)20/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,15,9,13,16,8,4,10,19,12,17,6,20,5,11,7,21,18/rA:21nCCCCNCOCCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.2666
Area:519.388
Solvation:-3.7181
Coulombic:-45.6896
Bond Count [?]
All:22
Single:17
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.83
LogP (Chemaxon):1.16

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