Chemical ID: 5973005

CCN(CC)CCCC(C)NC(=O)CN1c2ccc(cc2OCC1=O)C
Chemical ID:
5973005
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-2-(4-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CN1c2ccc(cc2OCC1=O)C
InChi [?]:
InChI=1/C20H31N3O3/c1-5-22(6-2)11-7-8-16(4)21-19(24)13-23-17-10-9-15(3)12-18(17)26-14-20(23)25/h9-10,12,16H,5-8,11,13-14H2,1-4H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,26,10,2,4,7,8,18,17,6,20,14,23,19,9,16,21,12,24,11,3,15,13,25,22/E:(1,2)(5,6)/rA:26cCCNCCCCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.2179
Area:616.482
Solvation:-4.19415
Coulombic:-50.6987
Bond Count [?]
All:27
Single:22
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:361.479
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.28
LogP (Chemaxon):1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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