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Chemical ID: 4245111
Chemical ID:
4245111
Name [?]:
N-(1-isopropyl-2-methyl-propyl)-3,5-dimethoxy-benzamide
SMILES [?]:
CC(C)C(C(C)C)NC(=O)c1cc(cc(c1)OC)OC
InChi [?]:
InChI=1/C16H25NO3/c1-10(2)15(11(3)4)17-16(18)12-7-13(19-5)9-14(8-12)20-6/h7-11,15H,1-6H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,18,20,16,12,14,2,5,11,15,13,4,9,8,10,17,19/E:(1,2,3,4)(5,6)(7,8)(10,11)(13,14)(19,20)/rA:20nCCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s5;s4;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24712 |
Area: | 488.0 |
Solvation: | -3.95288 |
Coulombic: | -36.744 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 279.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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