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Chemical ID: 6901376
Chemical ID:
6901376
Name [?]:
N-(2-butoxyphenyl)-3-(3-methoxy-4-propoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCCCOc1ccccc1NC(=O)C=Cc2ccc(c(c2)OC)OCCC
InChi [?]:
InChI=1/C23H29NO4/c1-4-6-16-28-20-10-8-7-9-19(20)24-23(25)14-12-18-11-13-21(27-15-5-2)22(17-18)26-3/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,24,2,27,3,9,8,10,7,18,16,19,15,26,4,22,17,11,6,20,21,13,12,14,23,25,5/rA:28nCCCCOCCCCCCNCOCCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO4 |
All Atoms: | 57 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0977 |
Area: | 649.421 |
Solvation: | -6.13782 |
Coulombic: | -45.3114 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 383.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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