Chemical ID: 6041947

CC(C)C(C)NC(=O)CCCN1c2ccccc2OCC1=O
Chemical ID:
6041947
Name [?]:
N-(1,2-dimethylpropyl)-4-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CC(C)C(C)NC(=O)CCCN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C17H24N2O3/c1-12(2)13(3)18-16(20)9-6-10-19-14-7-4-5-8-15(14)22-11-17(19)21/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,5,15,16,10,14,17,9,11,20,2,4,13,18,7,21,6,12,8,22,19/E:(1,2)/rA:22cCCCCCNCOCCCNCCCCCCOCCO/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.55107
Area:526.861
Solvation:-3.62046
Coulombic:-45.8209
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):1.58

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