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Chemical ID: 4556568
Chemical ID:
4556568
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylphenyl)-3-methyl-butanamide
SMILES [?]:
Cc1cc(cc(c1)CC(C)CC(=O)NCCc2ccc(c(c2)OC)OC)C
InChi [?]:
InChI=1/C23H31NO3/c1-16-10-17(2)12-20(11-16)13-18(3)14-23(25)24-9-8-19-6-7-21(26-4)22(15-19)27-5/h6-7,10-12,15,18H,8-9,13-14H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,10,26,24,18,19,16,15,3,7,5,8,11,22,2,4,9,17,6,20,21,12,14,13,25,23/E:(1,2)(11,12)(16,17)/rA:27cCCCCCCCCCCCCONCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1411 |
Area: | 641.168 |
Solvation: | -5.88805 |
Coulombic: | -36.0198 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 369.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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