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Chemical ID: 6041984
Chemical ID:
6041984
Name [?]:
N-(1,2-dimethylpropyl)-2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-acetamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C20H30N2O3/c1-7-20(5,6)15-8-9-17-16(10-15)22(19(24)12-25-17)11-18(23)21-14(4)13(2)3/h8-10,13-14H,7,11-12H2,1-6H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,22,4,5,2,7,8,11,17,15,23,21,6,10,9,18,13,3,20,12,19,14,16/E:(2,3)(5,6)/rA:25cCCCCCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2051 |
Area: | 569.554 |
Solvation: | -4.03378 |
Coulombic: | -46.8389 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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