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Chemical ID: 4550390
Chemical ID:
4550390
Name [?]:
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(c(c1)OC)NC(=O)C(C)C
InChi [?]:
InChI=1/C16H24N2O3/c1-10(2)8-15(19)17-12-6-7-13(14(9-12)21-5)18-16(20)11(3)4/h6-7,9-11H,8H2,1-5H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,15,9,10,4,13,2,19,8,11,12,5,17,7,16,6,18,14/E:(1,2)(3,4)/rA:21nCCCCCONCCCCCCOCNCOCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94611 |
Area: | 515.306 |
Solvation: | -3.93653 |
Coulombic: | -47.4557 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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