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Chemical ID: 4563490
Chemical ID:
4563490
Name [?]:
N-(2-furylmethyl)-N-[3-(4-isopropoxyphenyl)-3-phenyl-propyl]-acetamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CCN(Cc2ccco2)C(=O)C)c3ccccc3
InChi [?]:
InChI=1/C25H29NO3/c1-19(2)29-23-13-11-22(12-14-23)25(21-8-5-4-6-9-21)15-16-26(20(3)27)18-24-10-7-17-28-24/h4-14,17,19,25H,15-16,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,27,26,28,18,25,29,17,7,9,6,10,12,13,19,15,2,21,24,8,5,16,11,14,22,20,4/E:(1,2)(5,6)(8,9)(11,12)(13,14)/rA:29cCCCOCCCCCCCCCNCCCCCOCOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;s16s19;s14;d21;s21;s11;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4598 |
Area: | 636.516 |
Solvation: | -4.45306 |
Coulombic: | -32.6937 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 391.503 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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