Chemical ID: 6041849

CCCN(CCC)C(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
Chemical ID:
6041849
Name [?]:
2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N,N-dipropyl-acetamide
SMILES [?]:
CCCN(CCC)C(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C20H30N2O3/c1-6-10-21(11-7-2)18(23)13-22-16-12-15(20(3,4)5)8-9-17(16)25-14-19(22)24/h8-9,12H,6-7,10-11,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,23,24,25,2,6,15,16,3,5,13,10,19,14,12,17,8,20,22,4,11,9,21,18/E:(1,2)(3,4,5)(6,7)(10,11)/rA:25nCCCNCCCCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6429
Area:565.454
Solvation:-3.49342
Coulombic:-42.7604
Bond Count [?]
All:26
Single:21
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.464
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.49
LogP (Chemaxon):3.02

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Descriptor Annotations

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