Chemical ID: 6042056

CCC(C)NC(=O)CCCN1c2cc(ccc2OCC1=O)C
Chemical ID:
6042056
Name [?]:
4-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-sec-butyl-butanamide
SMILES [?]:
CCC(C)NC(=O)CCCN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C17H24N2O3/c1-4-13(3)18-16(20)6-5-9-19-14-10-12(2)7-8-15(14)22-11-17(19)21/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,4,2,9,8,15,16,10,13,19,14,3,12,17,6,20,5,11,7,21,18/rA:22cCCCCNCOCCCNCCCCCCOCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.62735
Area:530.613
Solvation:-3.63796
Coulombic:-45.268
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:2.16
LogP (Chemaxon):1.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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