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Chemical ID: 4562472
Chemical ID:
4562472
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methyl-butanamide
SMILES [?]:
CC(Cc1ccc(cc1)OC)CC(=O)NCCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C22H29NO4/c1-16(13-17-5-8-19(25-2)9-6-17)14-22(24)23-12-11-18-7-10-20(26-3)21(15-18)27-4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,11,27,25,5,9,19,6,8,20,17,16,3,12,23,2,4,18,7,21,22,13,15,14,10,26,24/E:(5,6)(8,9)/rA:27cCCCCCCCCCOCCCONCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s2;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.65423 |
Area: | 635.164 |
Solvation: | -7.22488 |
Coulombic: | -42.7467 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 371.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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